4-[[1-(aminomethyl)-3-methylcyclohexyl]methyl-methylamino]butan-2-ol

C14H30N2O — CID 113499916

IUPAC4-[[1-(aminomethyl)-3-methylcyclohexyl]methyl-methylamino]butan-2-ol
SMILESCC(O)CCN(C)CC1(CN)CCCC(C)C1
InChIInChI=1S/C14H30N2O/c1-12-5-4-7-14(9-12,10-15)11-16(3)8-6-13(2)17/h12-13,17H,4-11,15H2,1-3H3
InChIKeyVAIDWQASEPYXOE-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.84
Rot. Bonds6

About 4-[[1-(aminomethyl)-3-methylcyclohexyl]methyl-methylamino]butan-2-ol

4-[[1-(aminomethyl)-3-methylcyclohexyl]methyl-methylamino]butan-2-ol (PubChem CID 113499916) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 4-[[1-(aminomethyl)-3-methylcyclohexyl]methyl-methylamino]butan-2-ol.

Molecular Properties

Compound Name4-[[1-(aminomethyl)-3-methylcyclohexyl]methyl-methylamino]butan-2-ol
PubChem CID113499916
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name4-[[1-(aminomethyl)-3-methylcyclohexyl]methyl-methylamino]butan-2-ol
SMILESCC(O)CCN(C)CC1(CN)CCCC(C)C1
InChIInChI=1S/C14H30N2O/c1-12-5-4-7-14(9-12,10-15)11-16(3)8-6-13(2)17/h12-13,17H,4-11,15H2,1-3H3
InChIKeyVAIDWQASEPYXOE-UHFFFAOYSA-N
XLogP1.84
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[1-(aminomethyl)-3-methylcyclohexyl]methyl-methylamino]butan-2-ol with MolForge

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-N,3-dimethylbutan-1-amine
CID 115453726
[3-methyl-1-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclohexyl]methanol
CID 81074444
[1-[[bis(3-methylbutyl)amino]methyl]-3-methylcyclohexyl]methanol
CID 107871199
[1-[[2-ethoxyethyl(methyl)amino]methyl]-3-methylcyclohexyl]methanol
CID 81074798
1-[1-[[1-(aminomethyl)-3-methylcyclohexyl]methyl]piperidin-4-yl]ethanol
CID 106837794
N-[[1-(aminomethyl)cyclobutyl]methyl]-N,2-dimethylpropan-1-amine
CID 115448846
2-[1-(aminomethyl)-3-methylcyclohexyl]acetic acid;hydrochloride
CID 45260252
N-[[1-(aminomethyl)cyclopentyl]methyl]-N,3-dimethylcyclohexan-1-amine
CID 62256264
1-[1-(aminomethyl)-3-methylcyclohexyl]-2-methylcyclopentan-1-ol
CID 79123958
N-[[3-methyl-1-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine
CID 112664702
2-[[1-(aminomethyl)-3-methylcyclohexyl]-methylamino]-N-propan-2-ylacetamide
CID 62006956
1-[[methyl-[[3-methyl-1-(methylaminomethyl)cyclohexyl]methyl]amino]methyl]cyclopentan-1-ol
CID 114953469

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(aminomethyl)-3-methylcyclohexyl]methyl-methylamino]butan-2-ol?
The IUPAC name of 4-[[1-(aminomethyl)-3-methylcyclohexyl]methyl-methylamino]butan-2-ol (CID 113499916) is 4-[[1-(aminomethyl)-3-methylcyclohexyl]methyl-methylamino]butan-2-ol.
What is the SMILES notation for 4-[[1-(aminomethyl)-3-methylcyclohexyl]methyl-methylamino]butan-2-ol?
The canonical SMILES for 4-[[1-(aminomethyl)-3-methylcyclohexyl]methyl-methylamino]butan-2-ol is CC(O)CCN(C)CC1(CN)CCCC(C)C1.
What is the InChIKey of 4-[[1-(aminomethyl)-3-methylcyclohexyl]methyl-methylamino]butan-2-ol?
The InChIKey is VAIDWQASEPYXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-12-5-4-7-14(9-12,10-15)11-16(3)8-6-13(2)17/h12-13,17H,4-11,15H2,1-3H3.
What are the key properties of 4-[[1-(aminomethyl)-3-methylcyclohexyl]methyl-methylamino]butan-2-ol?
4-[[1-(aminomethyl)-3-methylcyclohexyl]methyl-methylamino]butan-2-ol has a molecular weight of 242.41 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(aminomethyl)-3-methylcyclohexyl]methyl-methylamino]butan-2-ol is sourced from PubChem (CID 113499916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).