1-(cyclopropylmethyl)-4-propan-2-ylcyclohexan-1-amine

C13H25N — CID 130515407

IUPAC1-(cyclopropylmethyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)(CC2CC2)CC1
InChIInChI=1S/C13H25N/c1-10(2)12-5-7-13(14,8-6-12)9-11-3-4-11/h10-12H,3-9,14H2,1-2H3
InChIKeyQSHBGWRRMLFLBE-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.33
Rot. Bonds3

About 1-(cyclopropylmethyl)-4-propan-2-ylcyclohexan-1-amine

1-(cyclopropylmethyl)-4-propan-2-ylcyclohexan-1-amine (PubChem CID 130515407) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-propan-2-ylcyclohexan-1-amine
PubChem CID130515407
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name1-(cyclopropylmethyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)(CC2CC2)CC1
InChIInChI=1S/C13H25N/c1-10(2)12-5-7-13(14,8-6-12)9-11-3-4-11/h10-12H,3-9,14H2,1-2H3
InChIKeyQSHBGWRRMLFLBE-UHFFFAOYSA-N
XLogP3.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(cyclopropylmethyl)cyclopropan-1-amine;hydrochloride
CID 131637609
1-(2-ethylbutyl)-4-propan-2-ylcyclohexan-1-amine
CID 82920282
1-(3,3-dimethylbutyl)-4-propan-2-ylcyclohexan-1-amine
CID 63411887
4-(cyclopropylmethyl)oxan-4-amine
CID 91654794
1-(4-ethylcyclohexyl)-4-propan-2-ylcyclohexan-1-amine
CID 64748383
2-(1-amino-4-propan-2-ylcycloheptyl)ethanol
CID 65240022
1-(2-ethylsulfonylethyl)-4-propan-2-ylcyclohexan-1-amine
CID 65421379
1-(cycloheptylmethyl)cyclopropan-1-amine
CID 83682636
3-[4-[(1-aminocyclopropyl)methyl]cyclohexyl]-1,1,1-trifluoropropan-2-ol
CID 84738487
1-(4-methylpentyl)-4-propan-2-ylcycloheptan-1-amine
CID 83158864
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
CID 104769683
1-(furan-3-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
CID 83183625

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(cyclopropylmethyl)-4-propan-2-ylcyclohexan-1-amine (CID 130515407) is 1-(cyclopropylmethyl)-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(cyclopropylmethyl)-4-propan-2-ylcyclohexan-1-amine is CC(C)C1CCC(N)(CC2CC2)CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is QSHBGWRRMLFLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-10(2)12-5-7-13(14,8-6-12)9-11-3-4-11/h10-12H,3-9,14H2,1-2H3.
What are the key properties of 1-(cyclopropylmethyl)-4-propan-2-ylcyclohexan-1-amine?
1-(cyclopropylmethyl)-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 195.35 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 130515407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).