1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-3,3-dimethylcyclopentan-1-ol

C17H33NO — CID 80699615

IUPAC1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-3,3-dimethylcyclopentan-1-ol
SMILESCC(C)C1CCC(CN)(C2(O)CCC(C)(C)C2)CC1
InChIInChI=1S/C17H33NO/c1-13(2)14-5-7-16(12-18,8-6-14)17(19)10-9-15(3,4)11-17/h13-14,19H,5-12,18H2,1-4H3
InChIKeyQMVQACSIKLVGSN-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.72
Rot. Bonds3

About 1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-3,3-dimethylcyclopentan-1-ol

1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-3,3-dimethylcyclopentan-1-ol (PubChem CID 80699615) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-3,3-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-3,3-dimethylcyclopentan-1-ol
PubChem CID80699615
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-3,3-dimethylcyclopentan-1-ol
SMILESCC(C)C1CCC(CN)(C2(O)CCC(C)(C)C2)CC1
InChIInChI=1S/C17H33NO/c1-13(2)14-5-7-16(12-18,8-6-14)17(19)10-9-15(3,4)11-17/h13-14,19H,5-12,18H2,1-4H3
InChIKeyQMVQACSIKLVGSN-UHFFFAOYSA-N
XLogP3.72
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-4,4-dimethylcycloheptan-1-ol
CID 79124186
4-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]piperidin-4-ol
CID 79135943
1-[1-(aminomethyl)-3-ethylcyclopentyl]-3,3-dimethylcyclopentan-1-ol
CID 80698467
1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-4,4-dimethylcyclohexan-1-ol
CID 79124995
1-[1-(aminomethyl)cyclooctyl]-4-propan-2-ylcycloheptan-1-ol
CID 80610748
3-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-cyclopropylpyrrolidin-3-ol
CID 79135758
1-[1-(aminomethyl)-3-ethylcyclopentyl]-4-propan-2-ylcyclohexan-1-ol
CID 79135033
1-[1-(aminomethyl)-4-methylcyclohexyl]-3-propan-2-ylcyclohexan-1-ol
CID 107450677
1-[1-(aminomethyl)-3-ethylcyclopentyl]-3,3-dimethylcyclohexan-1-ol
CID 79125562
1-[1-(aminomethyl)cycloheptyl]-3-propan-2-ylcyclohexan-1-ol
CID 107450682
1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-2-methylcyclohexan-1-ol
CID 79126602
1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]cycloheptan-1-ol
CID 79127542

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-3,3-dimethylcyclopentan-1-ol?
The IUPAC name of 1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-3,3-dimethylcyclopentan-1-ol (CID 80699615) is 1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-3,3-dimethylcyclopentan-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-3,3-dimethylcyclopentan-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-3,3-dimethylcyclopentan-1-ol is CC(C)C1CCC(CN)(C2(O)CCC(C)(C)C2)CC1.
What is the InChIKey of 1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-3,3-dimethylcyclopentan-1-ol?
The InChIKey is QMVQACSIKLVGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-13(2)14-5-7-16(12-18,8-6-14)17(19)10-9-15(3,4)11-17/h13-14,19H,5-12,18H2,1-4H3.
What are the key properties of 1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-3,3-dimethylcyclopentan-1-ol?
1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-3,3-dimethylcyclopentan-1-ol has a molecular weight of 267.46 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-3,3-dimethylcyclopentan-1-ol is sourced from PubChem (CID 80699615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).