1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-2-methylpropan-1-ol

C14H29NO — CID 79137746

IUPAC1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-2-methylpropan-1-ol
SMILESCC(C)C1CCC(CN)(C(O)C(C)C)CC1
InChIInChI=1S/C14H29NO/c1-10(2)12-5-7-14(9-15,8-6-12)13(16)11(3)4/h10-13,16H,5-9,15H2,1-4H3
InChIKeyMLSCGKYRYNCMDF-UHFFFAOYSA-N
MW227.39 g/mol
LogP2.79
Rot. Bonds4

About 1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-2-methylpropan-1-ol

1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-2-methylpropan-1-ol (PubChem CID 79137746) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-2-methylpropan-1-ol
PubChem CID79137746
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-2-methylpropan-1-ol
SMILESCC(C)C1CCC(CN)(C(O)C(C)C)CC1
InChIInChI=1S/C14H29NO/c1-10(2)12-5-7-14(9-15,8-6-12)13(16)11(3)4/h10-13,16H,5-9,15H2,1-4H3
InChIKeyMLSCGKYRYNCMDF-UHFFFAOYSA-N
XLogP2.79
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-2-ethylbutan-1-ol
CID 79137960
1-[1-(aminomethyl)cycloheptyl]-2-methylpropan-1-ol
CID 79138126
[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-methylcyclohexyl)methanol
CID 79125813
[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-fluorophenyl)methanol
CID 79137949
[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-chlorophenyl)methanol
CID 79138512
1-[1-(aminomethyl)cyclopropyl]-2-methylbutan-1-ol
CID 130513360
[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-bromo-4-methylphenyl)methanol
CID 105404014
[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-bromo-4-chlorophenyl)methanol
CID 83233725
[1-(aminomethyl)cyclopropyl]-cyclopropylmethanol
CID 102551238
1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2-ethylbutan-1-ol
CID 79138435
1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]ethanol
CID 79138945
1-(aminomethyl)-N-but-3-yn-2-yl-4-propan-2-ylcyclohexan-1-amine
CID 114416143

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-2-methylpropan-1-ol?
The IUPAC name of 1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-2-methylpropan-1-ol (CID 79137746) is 1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-2-methylpropan-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-2-methylpropan-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-2-methylpropan-1-ol is CC(C)C1CCC(CN)(C(O)C(C)C)CC1.
What is the InChIKey of 1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-2-methylpropan-1-ol?
The InChIKey is MLSCGKYRYNCMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-10(2)12-5-7-14(9-15,8-6-12)13(16)11(3)4/h10-13,16H,5-9,15H2,1-4H3.
What are the key properties of 1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-2-methylpropan-1-ol?
1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-2-methylpropan-1-ol has a molecular weight of 227.39 g/mol, XLogP of 2.79, 4 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]-2-methylpropan-1-ol is sourced from PubChem (CID 79137746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).