1-[[(1R,3S)-3-(tert-butylamino)cyclohexyl]amino]ethanol

C12H26N2O — CID 139573688

IUPAC1-[[(1R,3S)-3-(tert-butylamino)cyclohexyl]amino]ethanol
SMILESCC(O)N[C@@H]1CCC[C@H](NC(C)(C)C)C1
InChIInChI=1S/C12H26N2O/c1-9(15)13-10-6-5-7-11(8-10)14-12(2,3)4/h9-11,13-15H,5-8H2,1-4H3/t9?,10-,11+/m1/s1
InChIKeyMEWZAVXRXXWPQP-ZOCYIJKUSA-N
MW214.35 g/mol
LogP1.61
Rot. Bonds3

About 1-[[(1R,3S)-3-(tert-butylamino)cyclohexyl]amino]ethanol

1-[[(1R,3S)-3-(tert-butylamino)cyclohexyl]amino]ethanol (PubChem CID 139573688) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-[[(1R,3S)-3-(tert-butylamino)cyclohexyl]amino]ethanol.

Molecular Properties

Compound Name1-[[(1R,3S)-3-(tert-butylamino)cyclohexyl]amino]ethanol
PubChem CID139573688
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-[[(1R,3S)-3-(tert-butylamino)cyclohexyl]amino]ethanol
SMILESCC(O)N[C@@H]1CCC[C@H](NC(C)(C)C)C1
InChIInChI=1S/C12H26N2O/c1-9(15)13-10-6-5-7-11(8-10)14-12(2,3)4/h9-11,13-15H,5-8H2,1-4H3/t9?,10-,11+/m1/s1
InChIKeyMEWZAVXRXXWPQP-ZOCYIJKUSA-N
XLogP1.61
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[[(1R,3S)-3-(tert-butylamino)cyclohexyl]amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(cyclopentylamino)ethanol
CID 18784157
4-N-tert-butyl-1-N-propan-2-ylcyclohexane-1,4-diamine
CID 58707400
N-tert-butylcyclobutanamine;N-tert-butylcyclohexanamine;N-tert-butylcyclopentanamine;N-tert-butylcyclopropanamine
CID 158164936
1-N,4-N-ditert-butylcyclohexane-1,4-diamine
CID 59732223
N-[(1R,3S)-3-(tert-butylamino)cyclopentyl]acetamide
CID 139573847
3-(cyclopentylamino)-3-methylbutan-2-ol
CID 115908743
3-(propan-2-ylamino)cycloheptan-1-ol
CID 160609920
N-[(1R,3S)-3-(propan-2-ylamino)cyclohexyl]acetamide
CID 139573748
tert-butyl N-[3-[[(1S)-1-cyclohexylethyl]amino]cyclohexyl]carbamate
CID 103791676
N-tert-butylcyclopropanamine;hydrochloride
CID 55284152
4-N-tert-butyl-1-N-cyclohexylcyclohexane-1,4-diamine
CID 58707395
azane;N-butan-2-ylbutan-2-amine;N-tert-butylcyclohexanamine;N-tert-butyl-2-methylpropan-2-amine
CID 175308011

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R,3S)-3-(tert-butylamino)cyclohexyl]amino]ethanol?
The IUPAC name of 1-[[(1R,3S)-3-(tert-butylamino)cyclohexyl]amino]ethanol (CID 139573688) is 1-[[(1R,3S)-3-(tert-butylamino)cyclohexyl]amino]ethanol.
What is the SMILES notation for 1-[[(1R,3S)-3-(tert-butylamino)cyclohexyl]amino]ethanol?
The canonical SMILES for 1-[[(1R,3S)-3-(tert-butylamino)cyclohexyl]amino]ethanol is CC(O)N[C@@H]1CCC[C@H](NC(C)(C)C)C1.
What is the InChIKey of 1-[[(1R,3S)-3-(tert-butylamino)cyclohexyl]amino]ethanol?
The InChIKey is MEWZAVXRXXWPQP-ZOCYIJKUSA-N. The full InChI is InChI=1S/C12H26N2O/c1-9(15)13-10-6-5-7-11(8-10)14-12(2,3)4/h9-11,13-15H,5-8H2,1-4H3/t9?,10-,11+/m1/s1.
What are the key properties of 1-[[(1R,3S)-3-(tert-butylamino)cyclohexyl]amino]ethanol?
1-[[(1R,3S)-3-(tert-butylamino)cyclohexyl]amino]ethanol has a molecular weight of 214.35 g/mol, XLogP of 1.61, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R,3S)-3-(tert-butylamino)cyclohexyl]amino]ethanol is sourced from PubChem (CID 139573688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).