1-[1-(aminomethyl)-4-propylcyclohexyl]-4-methylcyclohexan-1-ol

C17H33NO — CID 79128311

IUPAC1-[1-(aminomethyl)-4-propylcyclohexyl]-4-methylcyclohexan-1-ol
SMILESCCCC1CCC(CN)(C2(O)CCC(C)CC2)CC1
InChIInChI=1S/C17H33NO/c1-3-4-15-7-9-16(13-18,10-8-15)17(19)11-5-14(2)6-12-17/h14-15,19H,3-13,18H2,1-2H3
InChIKeyFDXYVVKKEHIDPZ-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.86
Rot. Bonds4

About 1-[1-(aminomethyl)-4-propylcyclohexyl]-4-methylcyclohexan-1-ol

1-[1-(aminomethyl)-4-propylcyclohexyl]-4-methylcyclohexan-1-ol (PubChem CID 79128311) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-4-propylcyclohexyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)-4-propylcyclohexyl]-4-methylcyclohexan-1-ol
PubChem CID79128311
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name1-[1-(aminomethyl)-4-propylcyclohexyl]-4-methylcyclohexan-1-ol
SMILESCCCC1CCC(CN)(C2(O)CCC(C)CC2)CC1
InChIInChI=1S/C17H33NO/c1-3-4-15-7-9-16(13-18,10-8-15)17(19)11-5-14(2)6-12-17/h14-15,19H,3-13,18H2,1-2H3
InChIKeyFDXYVVKKEHIDPZ-UHFFFAOYSA-N
XLogP3.86
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(aminomethyl)-4-propylcyclohexyl]-3,5-dimethylcyclohexan-1-ol
CID 79123452
1-[1-(aminomethyl)cyclooctyl]-4-propylcyclohexan-1-ol
CID 80603364
1-[1-(aminomethyl)-3-methylcyclohexyl]-4-propylcyclohexan-1-ol
CID 79126743
4-[1-(aminomethyl)-4-propylcyclohexyl]oxan-4-ol
CID 79135491
3-[1-(aminomethyl)-4-propylcyclohexyl]-1,5-dimethylpyrrolidin-3-ol
CID 81467761
1-(1-hydroxy-4-propylcyclohexyl)-4-propylcyclohexan-1-ol
CID 70888853
1-[1-(aminomethyl)-3-ethylcyclopentyl]-4-methylcycloheptan-1-ol
CID 79124842
2-[1-(aminomethyl)-4-propylcyclohexyl]-1,3-dihydroinden-2-ol
CID 79124965
1-[1-(aminomethyl)-4-propylcyclohexyl]-3-cyclopropylcyclohexan-1-ol
CID 79125197
1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-propylcyclohexan-1-ol
CID 79124761
4-[1-(aminomethyl)-4-methylcyclohexyl]-1-ethylpiperidin-4-ol
CID 79135740
1-[1-(aminomethyl)-3-ethylcyclopentyl]-3-methylcyclopentan-1-ol
CID 79126426

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-4-propylcyclohexyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[1-(aminomethyl)-4-propylcyclohexyl]-4-methylcyclohexan-1-ol (CID 79128311) is 1-[1-(aminomethyl)-4-propylcyclohexyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)-4-propylcyclohexyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)-4-propylcyclohexyl]-4-methylcyclohexan-1-ol is CCCC1CCC(CN)(C2(O)CCC(C)CC2)CC1.
What is the InChIKey of 1-[1-(aminomethyl)-4-propylcyclohexyl]-4-methylcyclohexan-1-ol?
The InChIKey is FDXYVVKKEHIDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-3-4-15-7-9-16(13-18,10-8-15)17(19)11-5-14(2)6-12-17/h14-15,19H,3-13,18H2,1-2H3.
What are the key properties of 1-[1-(aminomethyl)-4-propylcyclohexyl]-4-methylcyclohexan-1-ol?
1-[1-(aminomethyl)-4-propylcyclohexyl]-4-methylcyclohexan-1-ol has a molecular weight of 267.46 g/mol, XLogP of 3.86, 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-propylcyclohexyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 79128311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).