2-[[(1S,2S)-2-[methyl(propan-2-yl)amino]cyclohexyl]amino]ethanol

C12H26N2O — CID 96554725

IUPAC2-[[(1S,2S)-2-[methyl(propan-2-yl)amino]cyclohexyl]amino]ethanol
SMILESCC(C)N(C)[C@H]1CCCC[C@@H]1NCCO
InChIInChI=1S/C12H26N2O/c1-10(2)14(3)12-7-5-4-6-11(12)13-8-9-15/h10-13,15H,4-9H2,1-3H3/t11-,12-/m0/s1
InChIKeyBKJJZGNQAKTVIZ-RYUDHWBXSA-N
MW214.35 g/mol
LogP1.22
Rot. Bonds5

About 2-[[(1S,2S)-2-[methyl(propan-2-yl)amino]cyclohexyl]amino]ethanol

2-[[(1S,2S)-2-[methyl(propan-2-yl)amino]cyclohexyl]amino]ethanol (PubChem CID 96554725) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-[[(1S,2S)-2-[methyl(propan-2-yl)amino]cyclohexyl]amino]ethanol.

Molecular Properties

Compound Name2-[[(1S,2S)-2-[methyl(propan-2-yl)amino]cyclohexyl]amino]ethanol
PubChem CID96554725
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-[[(1S,2S)-2-[methyl(propan-2-yl)amino]cyclohexyl]amino]ethanol
SMILESCC(C)N(C)[C@H]1CCCC[C@@H]1NCCO
InChIInChI=1S/C12H26N2O/c1-10(2)14(3)12-7-5-4-6-11(12)13-8-9-15/h10-13,15H,4-9H2,1-3H3/t11-,12-/m0/s1
InChIKeyBKJJZGNQAKTVIZ-RYUDHWBXSA-N
XLogP1.22
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2R)-2-(2-hydroxyethylamino)cyclohexyl]-N-propan-2-ylacetamide
CID 96554405
2-[[(1R,2S)-2-[cyclopropyl(methyl)amino]cyclohexyl]amino]ethanol
CID 124526902
N-[(1R,2S)-2-(2-hydroxyethylamino)cyclohexyl]-N-methylacetamide
CID 96554380
2-amino-N-[(1S,2R)-2-[methyl(propan-2-yl)amino]cyclohexyl]acetamide
CID 96554848
2-amino-N-[(2S)-2-[methyl(propan-2-yl)amino]cyclohexyl]propanamide
CID 121226200
benzyl N-[(1S,2S)-2-(2-hydroxyethylamino)cyclohexyl]-N-propan-2-ylcarbamate
CID 96553870
N-[(1R,2S)-2-(2-hydroxyethylamino)cyclohexyl]acetamide
CID 96553168
2-[[(1R,2S)-2-(hydroxymethyl)cyclopentyl]amino]ethanol
CID 131230127
trans-(1S,2S)-2-[3-[methyl(propan-2-yl)amino]propylamino]cyclohexan-1-ol
CID 106045825
2-N-propan-2-yl-1-N,2-N-dipropylcyclooctane-1,2-diamine
CID 55194189
2-[(2-tert-butylcyclohexyl)amino]ethanol
CID 43085233
2-N-(cyclopropylmethyl)-2-N-propan-2-yl-1-N-propylcyclooctane-1,2-diamine
CID 63468526

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S,2S)-2-[methyl(propan-2-yl)amino]cyclohexyl]amino]ethanol?
The IUPAC name of 2-[[(1S,2S)-2-[methyl(propan-2-yl)amino]cyclohexyl]amino]ethanol (CID 96554725) is 2-[[(1S,2S)-2-[methyl(propan-2-yl)amino]cyclohexyl]amino]ethanol.
What is the SMILES notation for 2-[[(1S,2S)-2-[methyl(propan-2-yl)amino]cyclohexyl]amino]ethanol?
The canonical SMILES for 2-[[(1S,2S)-2-[methyl(propan-2-yl)amino]cyclohexyl]amino]ethanol is CC(C)N(C)[C@H]1CCCC[C@@H]1NCCO.
What is the InChIKey of 2-[[(1S,2S)-2-[methyl(propan-2-yl)amino]cyclohexyl]amino]ethanol?
The InChIKey is BKJJZGNQAKTVIZ-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10(2)14(3)12-7-5-4-6-11(12)13-8-9-15/h10-13,15H,4-9H2,1-3H3/t11-,12-/m0/s1.
What are the key properties of 2-[[(1S,2S)-2-[methyl(propan-2-yl)amino]cyclohexyl]amino]ethanol?
2-[[(1S,2S)-2-[methyl(propan-2-yl)amino]cyclohexyl]amino]ethanol has a molecular weight of 214.35 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S,2S)-2-[methyl(propan-2-yl)amino]cyclohexyl]amino]ethanol is sourced from PubChem (CID 96554725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).