N'-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine

C18H39N3 — CID 79842638

IUPACN'-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCNC1C(CN(CCN(C)C)CC(C)C)CCCC1(C)C
InChIInChI=1S/C18H39N3/c1-15(2)13-21(12-11-20(6)7)14-16-9-8-10-18(3,4)17(16)19-5/h15-17,19H,8-14H2,1-7H3
InChIKeyMRCSDPOSOLFGIH-UHFFFAOYSA-N
MW297.53 g/mol
LogP2.92
Rot. Bonds8

About N'-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine

N'-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 79842638) has the molecular formula C18H39N3 and a molecular weight of 297.53 g/mol. Its IUPAC name is N'-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
PubChem CID79842638
Molecular FormulaC18H39N3
Molecular Weight297.53 g/mol
Exact Mass297.31
IUPAC NameN'-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCNC1C(CN(CCN(C)C)CC(C)C)CCCC1(C)C
InChIInChI=1S/C18H39N3/c1-15(2)13-21(12-11-20(6)7)14-16-9-8-10-18(3,4)17(16)19-5/h15-17,19H,8-14H2,1-7H3
InChIKeyMRCSDPOSOLFGIH-UHFFFAOYSA-N
XLogP2.92
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.53
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine (CID 79842638) is N'-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine is CNC1C(CN(CCN(C)C)CC(C)C)CCCC1(C)C.
What is the InChIKey of N'-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is MRCSDPOSOLFGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N3/c1-15(2)13-21(12-11-20(6)7)14-16-9-8-10-18(3,4)17(16)19-5/h15-17,19H,8-14H2,1-7H3.
What are the key properties of N'-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
N'-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 297.53 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 79842638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).