4-[1-(aminomethyl)-4-propylcyclohexyl]-2,6-dimethylheptan-4-ol

C19H39NO — CID 114867229

IUPAC4-[1-(aminomethyl)-4-propylcyclohexyl]-2,6-dimethylheptan-4-ol
SMILESCCCC1CCC(CN)(C(O)(CC(C)C)CC(C)C)CC1
InChIInChI=1S/C19H39NO/c1-6-7-17-8-10-18(14-20,11-9-17)19(21,12-15(2)3)13-16(4)5/h15-17,21H,6-14,20H2,1-5H3
InChIKeyAJSFRBPHCHFYIT-UHFFFAOYSA-N
MW297.53 g/mol
LogP4.75
Rot. Bonds8

About 4-[1-(aminomethyl)-4-propylcyclohexyl]-2,6-dimethylheptan-4-ol

4-[1-(aminomethyl)-4-propylcyclohexyl]-2,6-dimethylheptan-4-ol (PubChem CID 114867229) has the molecular formula C19H39NO and a molecular weight of 297.53 g/mol. Its IUPAC name is 4-[1-(aminomethyl)-4-propylcyclohexyl]-2,6-dimethylheptan-4-ol.

Molecular Properties

Compound Name4-[1-(aminomethyl)-4-propylcyclohexyl]-2,6-dimethylheptan-4-ol
PubChem CID114867229
Molecular FormulaC19H39NO
Molecular Weight297.53 g/mol
Exact Mass297.30
IUPAC Name4-[1-(aminomethyl)-4-propylcyclohexyl]-2,6-dimethylheptan-4-ol
SMILESCCCC1CCC(CN)(C(O)(CC(C)C)CC(C)C)CC1
InChIInChI=1S/C19H39NO/c1-6-7-17-8-10-18(14-20,11-9-17)19(21,12-15(2)3)13-16(4)5/h15-17,21H,6-14,20H2,1-5H3
InChIKeyAJSFRBPHCHFYIT-UHFFFAOYSA-N
XLogP4.75
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.53
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(aminomethyl)-4-ethylcyclohexyl]-3-methylpentan-2-ol
CID 79135119
1-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-4-propylcyclohexan-1-amine
CID 63465758
1-(aminomethyl)-N-ethyl-N-(2-methylpropyl)-4-propylcyclohexan-1-amine
CID 63471543
1-[1-(aminomethyl)-4-propylcyclohexyl]butan-1-ol
CID 79137820
1-propan-2-yl-4-propylcycloheptan-1-amine
CID 65086543
1-(1-hydroxy-4-propylcyclohexyl)-4-propylcyclohexan-1-ol
CID 70888853
ethyl 2-[1-(aminomethyl)-4-propylcyclohexyl]oxypropanoate
CID 65052370
4-ethyl-1-(4-hydroxy-2,6-dimethylheptan-4-yl)cyclohexane-1-carbonitrile
CID 114867132
1-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)-4-propylcyclohexan-1-amine
CID 63470399
1-butan-2-yl-4-propylcyclohexan-1-amine
CID 79445578
(1-methoxy-4-propylcyclohexyl)methanamine
CID 62107282
1-(2-aminoethyl)-4-propylcyclohexan-1-ol
CID 79128310

Frequently Asked Questions

What is the IUPAC name of 4-[1-(aminomethyl)-4-propylcyclohexyl]-2,6-dimethylheptan-4-ol?
The IUPAC name of 4-[1-(aminomethyl)-4-propylcyclohexyl]-2,6-dimethylheptan-4-ol (CID 114867229) is 4-[1-(aminomethyl)-4-propylcyclohexyl]-2,6-dimethylheptan-4-ol.
What is the SMILES notation for 4-[1-(aminomethyl)-4-propylcyclohexyl]-2,6-dimethylheptan-4-ol?
The canonical SMILES for 4-[1-(aminomethyl)-4-propylcyclohexyl]-2,6-dimethylheptan-4-ol is CCCC1CCC(CN)(C(O)(CC(C)C)CC(C)C)CC1.
What is the InChIKey of 4-[1-(aminomethyl)-4-propylcyclohexyl]-2,6-dimethylheptan-4-ol?
The InChIKey is AJSFRBPHCHFYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO/c1-6-7-17-8-10-18(14-20,11-9-17)19(21,12-15(2)3)13-16(4)5/h15-17,21H,6-14,20H2,1-5H3.
What are the key properties of 4-[1-(aminomethyl)-4-propylcyclohexyl]-2,6-dimethylheptan-4-ol?
4-[1-(aminomethyl)-4-propylcyclohexyl]-2,6-dimethylheptan-4-ol has a molecular weight of 297.53 g/mol, XLogP of 4.75, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(aminomethyl)-4-propylcyclohexyl]-2,6-dimethylheptan-4-ol is sourced from PubChem (CID 114867229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).