1-[1-(aminomethyl)-3-methylcyclopentyl]-3,3-dimethylbutan-1-ol

C13H27NO — CID 79138322

IUPAC1-[1-(aminomethyl)-3-methylcyclopentyl]-3,3-dimethylbutan-1-ol
SMILESCC1CCC(CN)(C(O)CC(C)(C)C)C1
InChIInChI=1S/C13H27NO/c1-10-5-6-13(7-10,9-14)11(15)8-12(2,3)4/h10-11,15H,5-9,14H2,1-4H3
InChIKeyXQFLPAHYGMUTHW-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.55
Rot. Bonds3

About 1-[1-(aminomethyl)-3-methylcyclopentyl]-3,3-dimethylbutan-1-ol

1-[1-(aminomethyl)-3-methylcyclopentyl]-3,3-dimethylbutan-1-ol (PubChem CID 79138322) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-3-methylcyclopentyl]-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)-3-methylcyclopentyl]-3,3-dimethylbutan-1-ol
PubChem CID79138322
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-[1-(aminomethyl)-3-methylcyclopentyl]-3,3-dimethylbutan-1-ol
SMILESCC1CCC(CN)(C(O)CC(C)(C)C)C1
InChIInChI=1S/C13H27NO/c1-10-5-6-13(7-10,9-14)11(15)8-12(2,3)4/h10-11,15H,5-9,14H2,1-4H3
InChIKeyXQFLPAHYGMUTHW-UHFFFAOYSA-N
XLogP2.55
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxy-3-methylbutan-1-ol
CID 106676604
[1-(aminomethyl)-3-methylcyclopentyl]-(oxan-3-yl)methanol
CID 79138103
[1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylcyclohexyl)methanol
CID 104576136
[1-(aminomethyl)-3-methylcyclopentyl]-(4-cyclopropylphenyl)methanol
CID 79976853
(1S)-1-[1-(aminomethyl)-3-methylcyclobutyl]propan-1-ol
CID 97035537
[1-(aminomethyl)-3-methylcyclopentyl]-(2,6-difluorophenyl)methanol
CID 79138973
[1-(aminomethyl)-3-methylcyclopentyl]-(4-ethylphenyl)methanol
CID 79137757
[1-(aminomethyl)-3-methylcyclopentyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol
CID 103277857
[1-(aminomethyl)-3-methylcyclopentyl]-(3,4-dimethylphenyl)methanol
CID 79138726
1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2-methoxyethanol
CID 112752648
[1-(aminomethyl)-3-methylcyclopentyl]-(2,5-dimethylphenyl)methanol
CID 79138249
[1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylphenyl)methanol
CID 79126348

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-3-methylcyclopentyl]-3,3-dimethylbutan-1-ol?
The IUPAC name of 1-[1-(aminomethyl)-3-methylcyclopentyl]-3,3-dimethylbutan-1-ol (CID 79138322) is 1-[1-(aminomethyl)-3-methylcyclopentyl]-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)-3-methylcyclopentyl]-3,3-dimethylbutan-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)-3-methylcyclopentyl]-3,3-dimethylbutan-1-ol is CC1CCC(CN)(C(O)CC(C)(C)C)C1.
What is the InChIKey of 1-[1-(aminomethyl)-3-methylcyclopentyl]-3,3-dimethylbutan-1-ol?
The InChIKey is XQFLPAHYGMUTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-10-5-6-13(7-10,9-14)11(15)8-12(2,3)4/h10-11,15H,5-9,14H2,1-4H3.
What are the key properties of 1-[1-(aminomethyl)-3-methylcyclopentyl]-3,3-dimethylbutan-1-ol?
1-[1-(aminomethyl)-3-methylcyclopentyl]-3,3-dimethylbutan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)-3-methylcyclopentyl]-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 79138322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).