3-[[(1-methylcyclopentyl)methylamino]methyl]cyclohexan-1-amine

C14H28N2 — CID 63831792

IUPAC3-[[(1-methylcyclopentyl)methylamino]methyl]cyclohexan-1-amine
SMILESCC1(CNCC2CCCC(N)C2)CCCC1
InChIInChI=1S/C14H28N2/c1-14(7-2-3-8-14)11-16-10-12-5-4-6-13(15)9-12/h12-13,16H,2-11,15H2,1H3
InChIKeyWOMADJZKNZDQOB-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.67
Rot. Bonds4

About 3-[[(1-methylcyclopentyl)methylamino]methyl]cyclohexan-1-amine

3-[[(1-methylcyclopentyl)methylamino]methyl]cyclohexan-1-amine (PubChem CID 63831792) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 3-[[(1-methylcyclopentyl)methylamino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[[(1-methylcyclopentyl)methylamino]methyl]cyclohexan-1-amine
PubChem CID63831792
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name3-[[(1-methylcyclopentyl)methylamino]methyl]cyclohexan-1-amine
SMILESCC1(CNCC2CCCC(N)C2)CCCC1
InChIInChI=1S/C14H28N2/c1-14(7-2-3-8-14)11-16-10-12-5-4-6-13(15)9-12/h12-13,16H,2-11,15H2,1H3
InChIKeyWOMADJZKNZDQOB-UHFFFAOYSA-N
XLogP2.67
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[(1-methylcyclopentyl)methylamino]methyl]cyclohexan-1-amine?
The IUPAC name of 3-[[(1-methylcyclopentyl)methylamino]methyl]cyclohexan-1-amine (CID 63831792) is 3-[[(1-methylcyclopentyl)methylamino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-[[(1-methylcyclopentyl)methylamino]methyl]cyclohexan-1-amine?
The canonical SMILES for 3-[[(1-methylcyclopentyl)methylamino]methyl]cyclohexan-1-amine is CC1(CNCC2CCCC(N)C2)CCCC1.
What is the InChIKey of 3-[[(1-methylcyclopentyl)methylamino]methyl]cyclohexan-1-amine?
The InChIKey is WOMADJZKNZDQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-14(7-2-3-8-14)11-16-10-12-5-4-6-13(15)9-12/h12-13,16H,2-11,15H2,1H3.
What are the key properties of 3-[[(1-methylcyclopentyl)methylamino]methyl]cyclohexan-1-amine?
3-[[(1-methylcyclopentyl)methylamino]methyl]cyclohexan-1-amine has a molecular weight of 224.39 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-methylcyclopentyl)methylamino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 63831792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).