4-N-[3-[(4-aminocyclohexyl)amino]-2,2-dimethylpropyl]cyclohex-2-ene-1,4-diamine

C17H34N4 — CID 71119736

IUPAC4-N-[3-[(4-aminocyclohexyl)amino]-2,2-dimethylpropyl]cyclohex-2-ene-1,4-diamine
SMILESCC(C)(CNC1C=CC(N)CC1)CNC1CCC(N)CC1
InChIInChI=1S/C17H34N4/c1-17(2,11-20-15-7-3-13(18)4-8-15)12-21-16-9-5-14(19)6-10-16/h3,7,13-16,20-21H,4-6,8-12,18-19H2,1-2H3
InChIKeyONQPLOIURWKVKL-UHFFFAOYSA-N
MW294.49 g/mol
LogP1.51
Rot. Bonds6

About 4-N-[3-[(4-aminocyclohexyl)amino]-2,2-dimethylpropyl]cyclohex-2-ene-1,4-diamine

4-N-[3-[(4-aminocyclohexyl)amino]-2,2-dimethylpropyl]cyclohex-2-ene-1,4-diamine (PubChem CID 71119736) has the molecular formula C17H34N4 and a molecular weight of 294.49 g/mol. Its IUPAC name is 4-N-[3-[(4-aminocyclohexyl)amino]-2,2-dimethylpropyl]cyclohex-2-ene-1,4-diamine.

Molecular Properties

Compound Name4-N-[3-[(4-aminocyclohexyl)amino]-2,2-dimethylpropyl]cyclohex-2-ene-1,4-diamine
PubChem CID71119736
Molecular FormulaC17H34N4
Molecular Weight294.49 g/mol
Exact Mass294.28
IUPAC Name4-N-[3-[(4-aminocyclohexyl)amino]-2,2-dimethylpropyl]cyclohex-2-ene-1,4-diamine
SMILESCC(C)(CNC1C=CC(N)CC1)CNC1CCC(N)CC1
InChIInChI=1S/C17H34N4/c1-17(2,11-20-15-7-3-13(18)4-8-15)12-21-16-9-5-14(19)6-10-16/h3,7,13-16,20-21H,4-6,8-12,18-19H2,1-2H3
InChIKeyONQPLOIURWKVKL-UHFFFAOYSA-N
XLogP1.51
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.49
LogP ≤ 51.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-[3-[(4-aminocyclohexyl)amino]-2,2-dimethylpropyl]cyclohex-2-ene-1,4-diamine?
The IUPAC name of 4-N-[3-[(4-aminocyclohexyl)amino]-2,2-dimethylpropyl]cyclohex-2-ene-1,4-diamine (CID 71119736) is 4-N-[3-[(4-aminocyclohexyl)amino]-2,2-dimethylpropyl]cyclohex-2-ene-1,4-diamine.
What is the SMILES notation for 4-N-[3-[(4-aminocyclohexyl)amino]-2,2-dimethylpropyl]cyclohex-2-ene-1,4-diamine?
The canonical SMILES for 4-N-[3-[(4-aminocyclohexyl)amino]-2,2-dimethylpropyl]cyclohex-2-ene-1,4-diamine is CC(C)(CNC1C=CC(N)CC1)CNC1CCC(N)CC1.
What is the InChIKey of 4-N-[3-[(4-aminocyclohexyl)amino]-2,2-dimethylpropyl]cyclohex-2-ene-1,4-diamine?
The InChIKey is ONQPLOIURWKVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4/c1-17(2,11-20-15-7-3-13(18)4-8-15)12-21-16-9-5-14(19)6-10-16/h3,7,13-16,20-21H,4-6,8-12,18-19H2,1-2H3.
What are the key properties of 4-N-[3-[(4-aminocyclohexyl)amino]-2,2-dimethylpropyl]cyclohex-2-ene-1,4-diamine?
4-N-[3-[(4-aminocyclohexyl)amino]-2,2-dimethylpropyl]cyclohex-2-ene-1,4-diamine has a molecular weight of 294.49 g/mol, XLogP of 1.51, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-[(4-aminocyclohexyl)amino]-2,2-dimethylpropyl]cyclohex-2-ene-1,4-diamine is sourced from PubChem (CID 71119736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).