4-[methyl-[(2-methylcyclohexyl)methyl]amino]butan-2-ol

C13H27NO — CID 104523833

IUPAC4-[methyl-[(2-methylcyclohexyl)methyl]amino]butan-2-ol
SMILESCC(O)CCN(C)CC1CCCCC1C
InChIInChI=1S/C13H27NO/c1-11-6-4-5-7-13(11)10-14(3)9-8-12(2)15/h11-13,15H,4-10H2,1-3H3
InChIKeyDFFGYDPGNWWJMI-UHFFFAOYSA-N
MW213.37 g/mol
LogP2.52
Rot. Bonds5

About 4-[methyl-[(2-methylcyclohexyl)methyl]amino]butan-2-ol

4-[methyl-[(2-methylcyclohexyl)methyl]amino]butan-2-ol (PubChem CID 104523833) has the molecular formula C13H27NO and a molecular weight of 213.37 g/mol. Its IUPAC name is 4-[methyl-[(2-methylcyclohexyl)methyl]amino]butan-2-ol.

Molecular Properties

Compound Name4-[methyl-[(2-methylcyclohexyl)methyl]amino]butan-2-ol
PubChem CID104523833
Molecular FormulaC13H27NO
Molecular Weight213.37 g/mol
Exact Mass213.21
IUPAC Name4-[methyl-[(2-methylcyclohexyl)methyl]amino]butan-2-ol
SMILESCC(O)CCN(C)CC1CCCCC1C
InChIInChI=1S/C13H27NO/c1-11-6-4-5-7-13(11)10-14(3)9-8-12(2)15/h11-13,15H,4-10H2,1-3H3
InChIKeyDFFGYDPGNWWJMI-UHFFFAOYSA-N
XLogP2.52
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methylcyclohexyl)butan-2-ol
CID 131147117
(2R)-1-methoxy-3-[methyl-[[(1R,2S)-2-methylcyclohexyl]methyl]amino]propan-2-ol
CID 98888549
4-[(4-aminooxan-3-yl)methyl-methylamino]butan-2-ol
CID 103060860
4-[methyl(piperidin-3-ylmethyl)amino]butan-2-ol
CID 115741590
N,N-dimethyl-1-[(1S,2R)-2-methylcyclopentyl]methanamine
CID 167145219
2-[cyclopropyl-[(2-methylcyclohexyl)methyl]amino]ethanol
CID 104517048
N-ethyl-2-[[methyl(3-methylbutyl)amino]methyl]cycloheptan-1-amine
CID 62610199
1-[cyclohexylmethyl(methyl)amino]-4,4-dimethylpentan-3-ol
CID 62623575
4-[2-aminoethyl(methyl)amino]butan-2-ol
CID 86811494
(2R)-4-[[(1S,2S)-2-methylcyclohexyl]amino]butan-2-ol
CID 96784141
1-[cyclopropyl(propyl)amino]propan-2-ol
CID 60886554
4-[[1-(aminomethyl)-3-methylcyclohexyl]methyl-methylamino]butan-2-ol
CID 113499916

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[(2-methylcyclohexyl)methyl]amino]butan-2-ol?
The IUPAC name of 4-[methyl-[(2-methylcyclohexyl)methyl]amino]butan-2-ol (CID 104523833) is 4-[methyl-[(2-methylcyclohexyl)methyl]amino]butan-2-ol.
What is the SMILES notation for 4-[methyl-[(2-methylcyclohexyl)methyl]amino]butan-2-ol?
The canonical SMILES for 4-[methyl-[(2-methylcyclohexyl)methyl]amino]butan-2-ol is CC(O)CCN(C)CC1CCCCC1C.
What is the InChIKey of 4-[methyl-[(2-methylcyclohexyl)methyl]amino]butan-2-ol?
The InChIKey is DFFGYDPGNWWJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-11-6-4-5-7-13(11)10-14(3)9-8-12(2)15/h11-13,15H,4-10H2,1-3H3.
What are the key properties of 4-[methyl-[(2-methylcyclohexyl)methyl]amino]butan-2-ol?
4-[methyl-[(2-methylcyclohexyl)methyl]amino]butan-2-ol has a molecular weight of 213.37 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[(2-methylcyclohexyl)methyl]amino]butan-2-ol is sourced from PubChem (CID 104523833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).