N-[[3-(aminomethyl)cyclohexyl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine;N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine;N'-(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine

C43H93N9 — CID 70436935

IUPACN-[[3-(aminomethyl)cyclohexyl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine;N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine;N'-(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine
SMILESCC1(C)CC(NCC2CCCC(CN)C2)CC(C)(C)N1.CC1(C)CC(NCCCCCCN)CC(C)(C)N1.CC1(C)CC(NCCN)CC(C)(C)N1
InChIInChI=1S/C17H35N3.C15H33N3.C11H25N3/c1-16(2)9-15(10-17(3,4)20-16)19-12-14-7-5-6-13(8-14)11-18;1-14(2)11-13(12-15(3,4)18-14)17-10-8-6-5-7-9-16;1-10(2)7-9(13-6-5-12)8-11(3,4)14-10/h13-15,19-20H,5-12,18H2,1-4H3;13,17-18H,5-12,16H2,1-4H3;9,13-14H,5-8,12H2,1-4H3
InChIKeyPXACJMYSVBOZBM-UHFFFAOYSA-N
MW736.28 g/mol
LogP5.90
Rot. Bonds14

About N-[[3-(aminomethyl)cyclohexyl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine;N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine;N'-(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine

N-[[3-(aminomethyl)cyclohexyl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine;N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine;N'-(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine (PubChem CID 70436935) has the molecular formula C43H93N9 and a molecular weight of 736.28 g/mol. Its IUPAC name is N-[[3-(aminomethyl)cyclohexyl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine;N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine;N'-(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)cyclohexyl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine;N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine;N'-(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine
PubChem CID70436935
Molecular FormulaC43H93N9
Molecular Weight736.28 g/mol
Exact Mass735.76
IUPAC NameN-[[3-(aminomethyl)cyclohexyl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine;N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine;N'-(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine
SMILESCC1(C)CC(NCC2CCCC(CN)C2)CC(C)(C)N1.CC1(C)CC(NCCCCCCN)CC(C)(C)N1.CC1(C)CC(NCCN)CC(C)(C)N1
InChIInChI=1S/C17H35N3.C15H33N3.C11H25N3/c1-16(2)9-15(10-17(3,4)20-16)19-12-14-7-5-6-13(8-14)11-18;1-14(2)11-13(12-15(3,4)18-14)17-10-8-6-5-7-9-16;1-10(2)7-9(13-6-5-12)8-11(3,4)14-10/h13-15,19-20H,5-12,18H2,1-4H3;13,17-18H,5-12,16H2,1-4H3;9,13-14H,5-8,12H2,1-4H3
InChIKeyPXACJMYSVBOZBM-UHFFFAOYSA-N
XLogP5.90
TPSA150.24 Ų
H-Bond Donors9
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500736.28
LogP ≤ 55.90
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[3-(aminomethyl)cyclohexyl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine;N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine;N'-(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)cyclohexyl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine;N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine;N'-(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine?
The IUPAC name of N-[[3-(aminomethyl)cyclohexyl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine;N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine;N'-(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine (CID 70436935) is N-[[3-(aminomethyl)cyclohexyl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine;N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine;N'-(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine.
What is the SMILES notation for N-[[3-(aminomethyl)cyclohexyl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine;N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine;N'-(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine?
The canonical SMILES for N-[[3-(aminomethyl)cyclohexyl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine;N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine;N'-(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine is CC1(C)CC(NCC2CCCC(CN)C2)CC(C)(C)N1.CC1(C)CC(NCCCCCCN)CC(C)(C)N1.CC1(C)CC(NCCN)CC(C)(C)N1.
What is the InChIKey of N-[[3-(aminomethyl)cyclohexyl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine;N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine;N'-(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine?
The InChIKey is PXACJMYSVBOZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3.C15H33N3.C11H25N3/c1-16(2)9-15(10-17(3,4)20-16)19-12-14-7-5-6-13(8-14)11-18;1-14(2)11-13(12-15(3,4)18-14)17-10-8-6-5-7-9-16;1-10(2)7-9(13-6-5-12)8-11(3,4)14-10/h13-15,19-20H,5-12,18H2,1-4H3;13,17-18H,5-12,16H2,1-4H3;9,13-14H,5-8,12H2,1-4H3.
What are the key properties of N-[[3-(aminomethyl)cyclohexyl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine;N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine;N'-(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine?
N-[[3-(aminomethyl)cyclohexyl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine;N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine;N'-(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine has a molecular weight of 736.28 g/mol, XLogP of 5.90, 14 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)cyclohexyl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine;N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine;N'-(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine is sourced from PubChem (CID 70436935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).