(3R)-3-methyl-4-[[(1S,2R)-2-methylcyclohexyl]methylamino]butan-1-ol

C13H27NO — CID 124743507

IUPAC(3R)-3-methyl-4-[[(1S,2R)-2-methylcyclohexyl]methylamino]butan-1-ol
SMILESC[C@H](CCO)CNC[C@H]1CCCC[C@H]1C
InChIInChI=1S/C13H27NO/c1-11(7-8-15)9-14-10-13-6-4-3-5-12(13)2/h11-15H,3-10H2,1-2H3/t11-,12-,13-/m1/s1
InChIKeyYWYZRSKYGGOQEG-JHJVBQTASA-N
MW213.36 g/mol
LogP2.42
Rot. Bonds6

About (3R)-3-methyl-4-[[(1S,2R)-2-methylcyclohexyl]methylamino]butan-1-ol

(3R)-3-methyl-4-[[(1S,2R)-2-methylcyclohexyl]methylamino]butan-1-ol (PubChem CID 124743507) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is (3R)-3-methyl-4-[[(1S,2R)-2-methylcyclohexyl]methylamino]butan-1-ol.

Molecular Properties

Compound Name(3R)-3-methyl-4-[[(1S,2R)-2-methylcyclohexyl]methylamino]butan-1-ol
PubChem CID124743507
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name(3R)-3-methyl-4-[[(1S,2R)-2-methylcyclohexyl]methylamino]butan-1-ol
SMILESC[C@H](CCO)CNC[C@H]1CCCC[C@H]1C
InChIInChI=1S/C13H27NO/c1-11(7-8-15)9-14-10-13-6-4-3-5-12(13)2/h11-15H,3-10H2,1-2H3/t11-,12-,13-/m1/s1
InChIKeyYWYZRSKYGGOQEG-JHJVBQTASA-N
XLogP2.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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Related Compounds

3-[(2-methylcyclohexyl)methylamino]propane-1,2-diol
CID 76912799
1-cyclopentyl-3-[(2-methylcyclopentyl)methylamino]propan-2-ol
CID 107418138
(3R)-4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]-3-methylbutan-1-ol
CID 129445943
(3S)-4-[[(1R,6R)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]-3-methylbutan-1-ol
CID 99696885
(3S)-N-[[(1S,2R)-2-methylcyclohexyl]methyl]-3-[(R)-methylsulfinyl]butan-1-amine
CID 129445773
2-[(2-methylcyclohexyl)methylamino]-N-propan-2-ylpropanamide
CID 55013491
2-cyclopentyl-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66107291
N-[(2-methylcyclohexyl)methyl]-1-piperidin-4-ylmethanamine
CID 79708112
3-methyl-4-[(1-methylsulfonylpiperidin-3-yl)methylamino]butan-1-ol
CID 79613327
N-(3-methylbutyl)-2-[(2-methylcyclopentyl)methylamino]acetamide
CID 107418064
3-methyl-4-(2-methylpentylamino)butan-1-ol
CID 66092685
4-amino-N-[(2-methylcyclopentyl)methyl]pentanamide
CID 107418378

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-[[(1S,2R)-2-methylcyclohexyl]methylamino]butan-1-ol?
The IUPAC name of (3R)-3-methyl-4-[[(1S,2R)-2-methylcyclohexyl]methylamino]butan-1-ol (CID 124743507) is (3R)-3-methyl-4-[[(1S,2R)-2-methylcyclohexyl]methylamino]butan-1-ol.
What is the SMILES notation for (3R)-3-methyl-4-[[(1S,2R)-2-methylcyclohexyl]methylamino]butan-1-ol?
The canonical SMILES for (3R)-3-methyl-4-[[(1S,2R)-2-methylcyclohexyl]methylamino]butan-1-ol is C[C@H](CCO)CNC[C@H]1CCCC[C@H]1C.
What is the InChIKey of (3R)-3-methyl-4-[[(1S,2R)-2-methylcyclohexyl]methylamino]butan-1-ol?
The InChIKey is YWYZRSKYGGOQEG-JHJVBQTASA-N. The full InChI is InChI=1S/C13H27NO/c1-11(7-8-15)9-14-10-13-6-4-3-5-12(13)2/h11-15H,3-10H2,1-2H3/t11-,12-,13-/m1/s1.
What are the key properties of (3R)-3-methyl-4-[[(1S,2R)-2-methylcyclohexyl]methylamino]butan-1-ol?
(3R)-3-methyl-4-[[(1S,2R)-2-methylcyclohexyl]methylamino]butan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-[[(1S,2R)-2-methylcyclohexyl]methylamino]butan-1-ol is sourced from PubChem (CID 124743507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).