(2R)-2-[(3,3,5-trimethylcyclohexyl)amino]propan-1-ol

C12H25NO — CID 114985548

IUPAC(2R)-2-[(3,3,5-trimethylcyclohexyl)amino]propan-1-ol
SMILESCC1CC(N[C@H](C)CO)CC(C)(C)C1
InChIInChI=1S/C12H25NO/c1-9-5-11(13-10(2)8-14)7-12(3,4)6-9/h9-11,13-14H,5-8H2,1-4H3/t9?,10-,11?/m1/s1
InChIKeySSQNAQHRWHEJPL-HSOILSAZSA-N
MW199.34 g/mol
LogP2.17
Rot. Bonds3

About (2R)-2-[(3,3,5-trimethylcyclohexyl)amino]propan-1-ol

(2R)-2-[(3,3,5-trimethylcyclohexyl)amino]propan-1-ol (PubChem CID 114985548) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (2R)-2-[(3,3,5-trimethylcyclohexyl)amino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(3,3,5-trimethylcyclohexyl)amino]propan-1-ol
PubChem CID114985548
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(2R)-2-[(3,3,5-trimethylcyclohexyl)amino]propan-1-ol
SMILESCC1CC(N[C@H](C)CO)CC(C)(C)C1
InChIInChI=1S/C12H25NO/c1-9-5-11(13-10(2)8-14)7-12(3,4)6-9/h9-11,13-14H,5-8H2,1-4H3/t9?,10-,11?/m1/s1
InChIKeySSQNAQHRWHEJPL-HSOILSAZSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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

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Related Compounds

Cambridge id 6045519
CID 2882245
2-[(4-Tert-butylcyclohexyl)amino]butan-1-ol
CID 2947542
2-[(1-Adamantylmethyl)amino]-1-propanol
CID 2882246
2-[(4-Methylcyclohexyl)amino]ethanol
CID 277584
N-(2-methoxyethyl)-3,3-dimethylcyclohexan-1-amine
CID 64468633
1-(3-Methyl-cyclohexylamino)-propan-2-ol
CID 3151936
2-[(4-Ethylcyclohexyl)amino]ethan-1-ol
CID 33788242
2-[[(5-Amino-1,3,3-trimethylcyclohexyl)methyl]amino]ethanol
CID 3017677
2-[(3,3,5-Trimethylcyclohexyl)amino]ethanol
CID 278951
2-[1-(1-Adamantyl)propan-2-ylamino]ethanol
CID 36012
1-(((5-Amino-1,3,3-trimethylcyclohexyl)methyl)amino)propan-2-ol
CID 3017678
1-[[[5-[(2-Hydroxypropyl)amino]-1,3,3-trimethylcyclohexyl]methyl]amino]propan-2-OL
CID 3020474

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3,3,5-trimethylcyclohexyl)amino]propan-1-ol?
The IUPAC name of (2R)-2-[(3,3,5-trimethylcyclohexyl)amino]propan-1-ol (CID 114985548) is (2R)-2-[(3,3,5-trimethylcyclohexyl)amino]propan-1-ol.
What is the SMILES notation for (2R)-2-[(3,3,5-trimethylcyclohexyl)amino]propan-1-ol?
The canonical SMILES for (2R)-2-[(3,3,5-trimethylcyclohexyl)amino]propan-1-ol is CC1CC(N[C@H](C)CO)CC(C)(C)C1.
What is the InChIKey of (2R)-2-[(3,3,5-trimethylcyclohexyl)amino]propan-1-ol?
The InChIKey is SSQNAQHRWHEJPL-HSOILSAZSA-N. The full InChI is InChI=1S/C12H25NO/c1-9-5-11(13-10(2)8-14)7-12(3,4)6-9/h9-11,13-14H,5-8H2,1-4H3/t9?,10-,11?/m1/s1.
What are the key properties of (2R)-2-[(3,3,5-trimethylcyclohexyl)amino]propan-1-ol?
(2R)-2-[(3,3,5-trimethylcyclohexyl)amino]propan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3,3,5-trimethylcyclohexyl)amino]propan-1-ol is sourced from PubChem (CID 114985548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).