(2R)-1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]propan-2-ol

C13H27NO — CID 103906936

IUPAC(2R)-1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]propan-2-ol
SMILESCC1CCC(C(C)C)C(NC[C@@H](C)O)C1
InChIInChI=1S/C13H27NO/c1-9(2)12-6-5-10(3)7-13(12)14-8-11(4)15/h9-15H,5-8H2,1-4H3/t10?,11-,12?,13?/m1/s1
InChIKeyYPLFTNWYFSSQHA-QVBJCFTNSA-N
MW213.36 g/mol
LogP2.42
Rot. Bonds4

About (2R)-1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]propan-2-ol

(2R)-1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]propan-2-ol (PubChem CID 103906936) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is (2R)-1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]propan-2-ol
PubChem CID103906936
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name(2R)-1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]propan-2-ol
SMILESCC1CCC(C(C)C)C(NC[C@@H](C)O)C1
InChIInChI=1S/C13H27NO/c1-9(2)12-6-5-10(3)7-13(12)14-8-11(4)15/h9-15H,5-8H2,1-4H3/t10?,11-,12?,13?/m1/s1
InChIKeyYPLFTNWYFSSQHA-QVBJCFTNSA-N
XLogP2.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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 (2R)-1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]propan-2-ol with MolForge

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Related Compounds

5-methyl-N-(2-methylbutyl)-2-propan-2-ylcyclohexan-1-amine
CID 43710072
N-(2-ethoxypropyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 115724398
cis-(2R,5R)-5-methyl-2-propan-2-yl-N-prop-2-ynylcyclohexan-1-amine
CID 130962040
6-[(5-methyl-2-propan-2-ylcyclohexyl)amino]hexan-1-ol
CID 103922216
5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-propan-2-ylcyclohexan-1-amine
CID 63464522
5-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-propan-2-ylcyclohexan-1-amine
CID 43105975
N-heptyl-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43223218
4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]butanenitrile
CID 115976292
(2S)-1-N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-phenylpropane-1,2-diamine
CID 66573625
5-methyl-2-propan-2-yl-N-(3-propan-2-ylcyclobutyl)cyclohexan-1-amine
CID 103561293
3-chloro-2-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)propanamide
CID 55110853
N-benzyl-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 2728111

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]propan-2-ol?
The IUPAC name of (2R)-1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]propan-2-ol (CID 103906936) is (2R)-1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]propan-2-ol?
The canonical SMILES for (2R)-1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]propan-2-ol is CC1CCC(C(C)C)C(NC[C@@H](C)O)C1.
What is the InChIKey of (2R)-1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]propan-2-ol?
The InChIKey is YPLFTNWYFSSQHA-QVBJCFTNSA-N. The full InChI is InChI=1S/C13H27NO/c1-9(2)12-6-5-10(3)7-13(12)14-8-11(4)15/h9-15H,5-8H2,1-4H3/t10?,11-,12?,13?/m1/s1.
What are the key properties of (2R)-1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]propan-2-ol?
(2R)-1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]propan-2-ol has a molecular weight of 213.36 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]propan-2-ol is sourced from PubChem (CID 103906936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).