3-[(4-ethyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-amine

C14H29N3 — CID 167776529

IUPAC3-[(4-ethyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-amine
SMILESCCN1CCCN(CC2CCCC(N)C2)CC1
InChIInChI=1S/C14H29N3/c1-2-16-7-4-8-17(10-9-16)12-13-5-3-6-14(15)11-13/h13-14H,2-12,15H2,1H3
InChIKeyGANJATMPCPWDDO-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.53
Rot. Bonds3

About 3-[(4-ethyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-amine

3-[(4-ethyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-amine (PubChem CID 167776529) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 3-[(4-ethyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[(4-ethyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-amine
PubChem CID167776529
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name3-[(4-ethyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-amine
SMILESCCN1CCCN(CC2CCCC(N)C2)CC1
InChIInChI=1S/C14H29N3/c1-2-16-7-4-8-17(10-9-16)12-13-5-3-6-14(15)11-13/h13-14H,2-12,15H2,1H3
InChIKeyGANJATMPCPWDDO-UHFFFAOYSA-N
XLogP1.53
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 3-[(4-ethyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-amine (CID 167776529) is 3-[(4-ethyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-[(4-ethyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3-[(4-ethyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-amine is CCN1CCCN(CC2CCCC(N)C2)CC1.
What is the InChIKey of 3-[(4-ethyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-amine?
The InChIKey is GANJATMPCPWDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-2-16-7-4-8-17(10-9-16)12-13-5-3-6-14(15)11-13/h13-14H,2-12,15H2,1H3.
What are the key properties of 3-[(4-ethyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-amine?
3-[(4-ethyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-amine has a molecular weight of 239.41 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 167776529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).