[1-(aminomethyl)-3-methylcyclopentyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol

C16H29NO — CID 103277857

IUPAC[1-(aminomethyl)-3-methylcyclopentyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol
SMILESCC1=CC(C)CC(C(O)C2(CN)CCC(C)C2)C1
InChIInChI=1S/C16H29NO/c1-11-4-5-16(9-11,10-17)15(18)14-7-12(2)6-13(3)8-14/h6,11-12,14-15,18H,4-5,7-10,17H2,1-3H3
InChIKeyDBNPZSZDUPWEKX-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.10
Rot. Bonds3

About [1-(aminomethyl)-3-methylcyclopentyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol

[1-(aminomethyl)-3-methylcyclopentyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol (PubChem CID 103277857) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is [1-(aminomethyl)-3-methylcyclopentyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-3-methylcyclopentyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol
PubChem CID103277857
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name[1-(aminomethyl)-3-methylcyclopentyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol
SMILESCC1=CC(C)CC(C(O)C2(CN)CCC(C)C2)C1
InChIInChI=1S/C16H29NO/c1-11-4-5-16(9-11,10-17)15(18)14-7-12(2)6-13(3)8-14/h6,11-12,14-15,18H,4-5,7-10,17H2,1-3H3
InChIKeyDBNPZSZDUPWEKX-UHFFFAOYSA-N
XLogP3.10
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[1-(aminomethyl)-3-methylcyclopentyl]-(2,6-difluorophenyl)methanol
CID 79138973
3-amino-1-(3,5-dimethylcyclohex-3-en-1-yl)propan-1-ol
CID 103277877
[1-(aminomethyl)-3-methylcyclopentyl]-(oxan-3-yl)methanol
CID 79138103
1-(3,5-dimethylcyclohex-3-en-1-yl)-2,2-dimethylpropan-1-ol
CID 103277645
1-[1-(aminomethyl)-3-methylcyclopentyl]-3,3-dimethylbutan-1-ol
CID 79138322
[1-(aminomethyl)-3-methylcyclopentyl]-(3,4-dimethylphenyl)methanol
CID 79138726
1-[(3,5-dimethylcyclohex-3-en-1-yl)-hydroxymethyl]cyclohexane-1-carbonitrile
CID 103277848
[1-(aminomethyl)-3-methylcyclopentyl]-(4-cyclopropylphenyl)methanol
CID 79976853
[1-(aminomethyl)-3-methylcyclopentyl]-(2,5-dimethylphenyl)methanol
CID 79138249
[1-(aminomethyl)-3-methylcyclopentyl]-[2-(difluoromethoxy)phenyl]methanol
CID 79134784
[1-(aminomethyl)-3-methylcyclohexyl]-(thiolan-3-yl)methanol
CID 107133800
[1-(aminomethyl)-3-methylcyclopentyl]-(4-ethylphenyl)methanol
CID 79137757

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-3-methylcyclopentyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol?
The IUPAC name of [1-(aminomethyl)-3-methylcyclopentyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol (CID 103277857) is [1-(aminomethyl)-3-methylcyclopentyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol.
What is the SMILES notation for [1-(aminomethyl)-3-methylcyclopentyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol?
The canonical SMILES for [1-(aminomethyl)-3-methylcyclopentyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol is CC1=CC(C)CC(C(O)C2(CN)CCC(C)C2)C1.
What is the InChIKey of [1-(aminomethyl)-3-methylcyclopentyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol?
The InChIKey is DBNPZSZDUPWEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-11-4-5-16(9-11,10-17)15(18)14-7-12(2)6-13(3)8-14/h6,11-12,14-15,18H,4-5,7-10,17H2,1-3H3.
What are the key properties of [1-(aminomethyl)-3-methylcyclopentyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol?
[1-(aminomethyl)-3-methylcyclopentyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol has a molecular weight of 251.41 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-3-methylcyclopentyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol is sourced from PubChem (CID 103277857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).