4-[(propan-2-ylamino)methyl]cyclohexan-1-amine

C10H22N2 — CID 18722066

IUPAC4-[(propan-2-ylamino)methyl]cyclohexan-1-amine
SMILESCC(C)NCC1CCC(N)CC1
InChIInChI=1S/C10H22N2/c1-8(2)12-7-9-3-5-10(11)6-4-9/h8-10,12H,3-7,11H2,1-2H3
InChIKeyYTWYYSRZROEGKF-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.50
Rot. Bonds3

About 4-[(propan-2-ylamino)methyl]cyclohexan-1-amine

4-[(propan-2-ylamino)methyl]cyclohexan-1-amine (PubChem CID 18722066) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 4-[(propan-2-ylamino)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(propan-2-ylamino)methyl]cyclohexan-1-amine
PubChem CID18722066
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name4-[(propan-2-ylamino)methyl]cyclohexan-1-amine
SMILESCC(C)NCC1CCC(N)CC1
InChIInChI=1S/C10H22N2/c1-8(2)12-7-9-3-5-10(11)6-4-9/h8-10,12H,3-7,11H2,1-2H3
InChIKeyYTWYYSRZROEGKF-UHFFFAOYSA-N
XLogP1.50
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(propan-2-ylamino)methyl]cyclohexan-1-amine?
The IUPAC name of 4-[(propan-2-ylamino)methyl]cyclohexan-1-amine (CID 18722066) is 4-[(propan-2-ylamino)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[(propan-2-ylamino)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[(propan-2-ylamino)methyl]cyclohexan-1-amine is CC(C)NCC1CCC(N)CC1.
What is the InChIKey of 4-[(propan-2-ylamino)methyl]cyclohexan-1-amine?
The InChIKey is YTWYYSRZROEGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-8(2)12-7-9-3-5-10(11)6-4-9/h8-10,12H,3-7,11H2,1-2H3.
What are the key properties of 4-[(propan-2-ylamino)methyl]cyclohexan-1-amine?
4-[(propan-2-ylamino)methyl]cyclohexan-1-amine has a molecular weight of 170.30 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(propan-2-ylamino)methyl]cyclohexan-1-amine is sourced from PubChem (CID 18722066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).