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

C14H29NO — CID 79137820

IUPAC1-[1-(aminomethyl)-4-propylcyclohexyl]butan-1-ol
SMILESCCCC1CCC(CN)(C(O)CCC)CC1
InChIInChI=1S/C14H29NO/c1-3-5-12-7-9-14(11-15,10-8-12)13(16)6-4-2/h12-13,16H,3-11,15H2,1-2H3
InChIKeyHLVDZORBAMCSCI-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.08
Rot. Bonds6

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

1-[1-(aminomethyl)-4-propylcyclohexyl]butan-1-ol (PubChem CID 79137820) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-4-propylcyclohexyl]butan-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)-4-propylcyclohexyl]butan-1-ol
PubChem CID79137820
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name1-[1-(aminomethyl)-4-propylcyclohexyl]butan-1-ol
SMILESCCCC1CCC(CN)(C(O)CCC)CC1
InChIInChI=1S/C14H29NO/c1-3-5-12-7-9-14(11-15,10-8-12)13(16)6-4-2/h12-13,16H,3-11,15H2,1-2H3
InChIKeyHLVDZORBAMCSCI-UHFFFAOYSA-N
XLogP3.08
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(aminomethyl)-4-propylcyclohexyl]-(4-methylcyclohexyl)methanol
CID 79123292
1-[1-(aminomethyl)cyclobutyl]-3-cyclopropylpropan-1-ol
CID 165447050
1-[1-(aminomethyl)-4-tert-butylcyclohexyl]octan-1-ol
CID 79124774
[1-(aminomethyl)-4-propylcyclohexyl]-(1,3-thiazol-5-yl)methanol
CID 113373187
[1-(aminomethyl)-4-propylcyclohexyl]-pyrimidin-4-ylmethanol
CID 79125724
ethyl 2-[1-(aminomethyl)-4-ethylcyclohexyl]-2-hydroxyacetate
CID 79125049
1-(1-hydroxy-4-propylcyclohexyl)-4-propylcyclohexan-1-ol
CID 70888853
4-[1-(aminomethyl)-4-propylcyclohexyl]oxan-4-ol
CID 79135491
4-[1-(aminomethyl)-4-propylcyclohexyl]-2,6-dimethylheptan-4-ol
CID 114867229
(1-methoxy-4-propylcyclohexyl)methanamine
CID 62107282
1-(2-aminoethyl)-4-propylcyclohexan-1-ol
CID 79128310
1-(1-hydroxypentyl)-4-propylcyclohexane-1-carbonitrile
CID 79132042

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-4-propylcyclohexyl]butan-1-ol?
The IUPAC name of 1-[1-(aminomethyl)-4-propylcyclohexyl]butan-1-ol (CID 79137820) is 1-[1-(aminomethyl)-4-propylcyclohexyl]butan-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)-4-propylcyclohexyl]butan-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)-4-propylcyclohexyl]butan-1-ol is CCCC1CCC(CN)(C(O)CCC)CC1.
What is the InChIKey of 1-[1-(aminomethyl)-4-propylcyclohexyl]butan-1-ol?
The InChIKey is HLVDZORBAMCSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-3-5-12-7-9-14(11-15,10-8-12)13(16)6-4-2/h12-13,16H,3-11,15H2,1-2H3.
What are the key properties of 1-[1-(aminomethyl)-4-propylcyclohexyl]butan-1-ol?
1-[1-(aminomethyl)-4-propylcyclohexyl]butan-1-ol has a molecular weight of 227.39 g/mol, XLogP of 3.08, 6 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]butan-1-ol is sourced from PubChem (CID 79137820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).