7-N-(3-aminocyclohexyl)-1-N-methylheptane-1,3,7-triamine

C14H32N4 — CID 67380437

IUPAC7-N-(3-aminocyclohexyl)-1-N-methylheptane-1,3,7-triamine
SMILESCNCCC(N)CCCCNC1CCCC(N)C1
InChIInChI=1S/C14H32N4/c1-17-10-8-12(15)5-2-3-9-18-14-7-4-6-13(16)11-14/h12-14,17-18H,2-11,15-16H2,1H3
InChIKeyCUTHRAYWCIHRAR-UHFFFAOYSA-N
MW256.44 g/mol
LogP0.95
Rot. Bonds9

About 7-N-(3-aminocyclohexyl)-1-N-methylheptane-1,3,7-triamine

7-N-(3-aminocyclohexyl)-1-N-methylheptane-1,3,7-triamine (PubChem CID 67380437) has the molecular formula C14H32N4 and a molecular weight of 256.44 g/mol. Its IUPAC name is 7-N-(3-aminocyclohexyl)-1-N-methylheptane-1,3,7-triamine.

Molecular Properties

Compound Name7-N-(3-aminocyclohexyl)-1-N-methylheptane-1,3,7-triamine
PubChem CID67380437
Molecular FormulaC14H32N4
Molecular Weight256.44 g/mol
Exact Mass256.26
IUPAC Name7-N-(3-aminocyclohexyl)-1-N-methylheptane-1,3,7-triamine
SMILESCNCCC(N)CCCCNC1CCCC(N)C1
InChIInChI=1S/C14H32N4/c1-17-10-8-12(15)5-2-3-9-18-14-7-4-6-13(16)11-14/h12-14,17-18H,2-11,15-16H2,1H3
InChIKeyCUTHRAYWCIHRAR-UHFFFAOYSA-N
XLogP0.95
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.44
LogP ≤ 50.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-N-(3-aminocyclohexyl)-1-N-methylheptane-1,3,7-triamine?
The IUPAC name of 7-N-(3-aminocyclohexyl)-1-N-methylheptane-1,3,7-triamine (CID 67380437) is 7-N-(3-aminocyclohexyl)-1-N-methylheptane-1,3,7-triamine.
What is the SMILES notation for 7-N-(3-aminocyclohexyl)-1-N-methylheptane-1,3,7-triamine?
The canonical SMILES for 7-N-(3-aminocyclohexyl)-1-N-methylheptane-1,3,7-triamine is CNCCC(N)CCCCNC1CCCC(N)C1.
What is the InChIKey of 7-N-(3-aminocyclohexyl)-1-N-methylheptane-1,3,7-triamine?
The InChIKey is CUTHRAYWCIHRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N4/c1-17-10-8-12(15)5-2-3-9-18-14-7-4-6-13(16)11-14/h12-14,17-18H,2-11,15-16H2,1H3.
What are the key properties of 7-N-(3-aminocyclohexyl)-1-N-methylheptane-1,3,7-triamine?
7-N-(3-aminocyclohexyl)-1-N-methylheptane-1,3,7-triamine has a molecular weight of 256.44 g/mol, XLogP of 0.95, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-(3-aminocyclohexyl)-1-N-methylheptane-1,3,7-triamine is sourced from PubChem (CID 67380437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).