1-[4-(aminomethyl)cyclohexyl]-2-methyl-2-(methylamino)pentan-1-ol

C14H30N2O — CID 142383767

IUPAC1-[4-(aminomethyl)cyclohexyl]-2-methyl-2-(methylamino)pentan-1-ol
SMILESCCCC(C)(NC)C(O)C1CCC(CN)CC1
InChIInChI=1S/C14H30N2O/c1-4-9-14(2,16-3)13(17)12-7-5-11(10-15)6-8-12/h11-13,16-17H,4-10,15H2,1-3H3
InChIKeyFJIDPIBEOFUFMN-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.89
Rot. Bonds6

About 1-[4-(aminomethyl)cyclohexyl]-2-methyl-2-(methylamino)pentan-1-ol

1-[4-(aminomethyl)cyclohexyl]-2-methyl-2-(methylamino)pentan-1-ol (PubChem CID 142383767) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-[4-(aminomethyl)cyclohexyl]-2-methyl-2-(methylamino)pentan-1-ol.

Molecular Properties

Compound Name1-[4-(aminomethyl)cyclohexyl]-2-methyl-2-(methylamino)pentan-1-ol
PubChem CID142383767
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-[4-(aminomethyl)cyclohexyl]-2-methyl-2-(methylamino)pentan-1-ol
SMILESCCCC(C)(NC)C(O)C1CCC(CN)CC1
InChIInChI=1S/C14H30N2O/c1-4-9-14(2,16-3)13(17)12-7-5-11(10-15)6-8-12/h11-13,16-17H,4-10,15H2,1-3H3
InChIKeyFJIDPIBEOFUFMN-UHFFFAOYSA-N
XLogP1.89
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-1-(4-propylcyclohexyl)propan-1-ol
CID 65424304
1,3-dicyclopropyl-2,2-dimethylpropan-1-ol
CID 141352215
2-(aminomethyl)-2-methyl-1-(4-methylcyclohexyl)butan-1-ol
CID 79125963
2-methyl-2-(methylamino)-1-(4-methylcyclohexyl)propan-1-ol
CID 130589667
1-(4-ethylcyclohexyl)-2,2-dimethylpropan-1-ol
CID 64748582
1-[4-(aminomethyl)cyclohexyl]propan-2-ol
CID 70069622
2-(aminomethyl)-1-cyclopropyl-2-methylbutan-1-ol
CID 79137698
bis(1-ethyl-4-propan-2-ylcyclohexane);methane;tris(1-methyl-4-propan-2-ylcyclohexane);tris(N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine);(4-propan-2-ylcyclohexyl)methanamine
CID 167696745
[4-(2-methylbutyl)cyclohexyl]methanamine
CID 130208059
N-[[4-(aminomethyl)cyclohexyl]methyl]-3,3-dimethylbutan-1-amine
CID 142934377
[4-(aminomethyl)cyclohexyl]methanamine
CID 158172497
[4-(1-fluoroethyl)cyclohexyl]methanamine
CID 84764155

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)cyclohexyl]-2-methyl-2-(methylamino)pentan-1-ol?
The IUPAC name of 1-[4-(aminomethyl)cyclohexyl]-2-methyl-2-(methylamino)pentan-1-ol (CID 142383767) is 1-[4-(aminomethyl)cyclohexyl]-2-methyl-2-(methylamino)pentan-1-ol.
What is the SMILES notation for 1-[4-(aminomethyl)cyclohexyl]-2-methyl-2-(methylamino)pentan-1-ol?
The canonical SMILES for 1-[4-(aminomethyl)cyclohexyl]-2-methyl-2-(methylamino)pentan-1-ol is CCCC(C)(NC)C(O)C1CCC(CN)CC1.
What is the InChIKey of 1-[4-(aminomethyl)cyclohexyl]-2-methyl-2-(methylamino)pentan-1-ol?
The InChIKey is FJIDPIBEOFUFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-4-9-14(2,16-3)13(17)12-7-5-11(10-15)6-8-12/h11-13,16-17H,4-10,15H2,1-3H3.
What are the key properties of 1-[4-(aminomethyl)cyclohexyl]-2-methyl-2-(methylamino)pentan-1-ol?
1-[4-(aminomethyl)cyclohexyl]-2-methyl-2-(methylamino)pentan-1-ol has a molecular weight of 242.41 g/mol, XLogP of 1.89, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)cyclohexyl]-2-methyl-2-(methylamino)pentan-1-ol is sourced from PubChem (CID 142383767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).