(2R)-2-[[(3R,5R)-3,5-dimethylcyclohexyl]amino]butan-1-ol

C12H25NO — CID 124576040

IUPAC(2R)-2-[[(3R,5R)-3,5-dimethylcyclohexyl]amino]butan-1-ol
SMILESCC[C@H](CO)NC1C[C@H](C)C[C@@H](C)C1
InChIInChI=1S/C12H25NO/c1-4-11(8-14)13-12-6-9(2)5-10(3)7-12/h9-14H,4-8H2,1-3H3/t9-,10-,11-/m1/s1
InChIKeyNHIRWEQVUIUJAK-GMTAPVOTSA-N
MW199.34 g/mol
LogP2.17
Rot. Bonds4

About (2R)-2-[[(3R,5R)-3,5-dimethylcyclohexyl]amino]butan-1-ol

(2R)-2-[[(3R,5R)-3,5-dimethylcyclohexyl]amino]butan-1-ol (PubChem CID 124576040) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (2R)-2-[[(3R,5R)-3,5-dimethylcyclohexyl]amino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[(3R,5R)-3,5-dimethylcyclohexyl]amino]butan-1-ol
PubChem CID124576040
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(2R)-2-[[(3R,5R)-3,5-dimethylcyclohexyl]amino]butan-1-ol
SMILESCC[C@H](CO)NC1C[C@H](C)C[C@@H](C)C1
InChIInChI=1S/C12H25NO/c1-4-11(8-14)13-12-6-9(2)5-10(3)7-12/h9-14H,4-8H2,1-3H3/t9-,10-,11-/m1/s1
InChIKeyNHIRWEQVUIUJAK-GMTAPVOTSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-2-[[(3R,5R)-3,5-dimethylcyclohexyl]amino]butan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

trans-(3S,5S)-3,5-dimethyl-N-pentan-3-ylcyclohexan-1-amine
CID 96732201
(2S)-2-[[(1S,5R)-3,3,5-trimethylcyclohexyl]amino]butan-1-ol
CID 92985928
N-heptan-3-yl-3,5-dimethylcyclohexan-1-amine
CID 64734397
(2R)-2-[(3-methoxycyclobutyl)amino]butan-1-ol
CID 104871999
2-[(3-ethoxycyclobutyl)amino]butan-1-ol
CID 112552968
2-[(4-methylcycloheptyl)amino]butan-1-ol
CID 65081279
(2S)-2-(cyclooctylamino)butan-1-ol
CID 28723227
4-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexan-1-ol
CID 106595214
3,5-dimethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine
CID 79008421
3-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexane-1-carboxylic acid
CID 104881655
2-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]propane-1,3-diol
CID 97358385
2-[(2-ethyl-4-methylcyclohexyl)amino]butan-1-ol
CID 115883452

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(3R,5R)-3,5-dimethylcyclohexyl]amino]butan-1-ol?
The IUPAC name of (2R)-2-[[(3R,5R)-3,5-dimethylcyclohexyl]amino]butan-1-ol (CID 124576040) is (2R)-2-[[(3R,5R)-3,5-dimethylcyclohexyl]amino]butan-1-ol.
What is the SMILES notation for (2R)-2-[[(3R,5R)-3,5-dimethylcyclohexyl]amino]butan-1-ol?
The canonical SMILES for (2R)-2-[[(3R,5R)-3,5-dimethylcyclohexyl]amino]butan-1-ol is CC[C@H](CO)NC1C[C@H](C)C[C@@H](C)C1.
What is the InChIKey of (2R)-2-[[(3R,5R)-3,5-dimethylcyclohexyl]amino]butan-1-ol?
The InChIKey is NHIRWEQVUIUJAK-GMTAPVOTSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-11(8-14)13-12-6-9(2)5-10(3)7-12/h9-14H,4-8H2,1-3H3/t9-,10-,11-/m1/s1.
What are the key properties of (2R)-2-[[(3R,5R)-3,5-dimethylcyclohexyl]amino]butan-1-ol?
(2R)-2-[[(3R,5R)-3,5-dimethylcyclohexyl]amino]butan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(3R,5R)-3,5-dimethylcyclohexyl]amino]butan-1-ol is sourced from PubChem (CID 124576040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).