trans-(1S,2S)-2-[3-[methyl(propan-2-yl)amino]propylamino]cyclohexan-1-ol

C13H28N2O — CID 106045825

IUPACtrans-(1S,2S)-2-[3-[methyl(propan-2-yl)amino]propylamino]cyclohexan-1-ol
SMILESCC(C)N(C)CCCN[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C13H28N2O/c1-11(2)15(3)10-6-9-14-12-7-4-5-8-13(12)16/h11-14,16H,4-10H2,1-3H3/t12-,13-/m0/s1
InChIKeyNFZSPURHMFBOQC-STQMWFEESA-N
MW228.38 g/mol
LogP1.61
Rot. Bonds6

About trans-(1S,2S)-2-[3-[methyl(propan-2-yl)amino]propylamino]cyclohexan-1-ol

trans-(1S,2S)-2-[3-[methyl(propan-2-yl)amino]propylamino]cyclohexan-1-ol (PubChem CID 106045825) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is trans-(1S,2S)-2-[3-[methyl(propan-2-yl)amino]propylamino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[3-[methyl(propan-2-yl)amino]propylamino]cyclohexan-1-ol
PubChem CID106045825
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Nametrans-(1S,2S)-2-[3-[methyl(propan-2-yl)amino]propylamino]cyclohexan-1-ol
SMILESCC(C)N(C)CCCN[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C13H28N2O/c1-11(2)15(3)10-6-9-14-12-7-4-5-8-13(12)16/h11-14,16H,4-10H2,1-3H3/t12-,13-/m0/s1
InChIKeyNFZSPURHMFBOQC-STQMWFEESA-N
XLogP1.61
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze trans-(1S,2S)-2-[3-[methyl(propan-2-yl)amino]propylamino]cyclohexan-1-ol 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

N'-methyl-N'-propan-2-yl-N-[2-(trifluoromethyl)cyclohexyl]propane-1,3-diamine
CID 106040935
trans-(1S,2S)-2-(4-hydroxypentylamino)cyclohexan-1-ol
CID 106131373
trans-(1R,2R)-2-(4-methylpentylamino)cyclopentan-1-ol
CID 102733178
4-[4-[methyl(propan-2-yl)amino]butylamino]cyclohexan-1-ol
CID 106594550
trans-(1S,2S)-2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]ethylamino]cyclohexan-1-ol
CID 92759264
trans-(1R,2R)-2-(pentylamino)cyclohexan-1-ol
CID 102730848
N-(cyclohexylmethyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 115581253
2-[2-[ethyl(methyl)amino]ethylamino]cyclohexan-1-ol
CID 62636782
trans-(1R,2R)-2-(5-methylhexylamino)cyclopentan-1-ol
CID 102733877
2-(nonylamino)cyclohexan-1-ol
CID 62360571
trans-(1S,2S)-2-(3-methylsulfonylpropylamino)cyclohexan-1-ol
CID 93451135
2-(3-hydroxybutylamino)cycloheptan-1-ol
CID 64911614

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[3-[methyl(propan-2-yl)amino]propylamino]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[3-[methyl(propan-2-yl)amino]propylamino]cyclohexan-1-ol (CID 106045825) is trans-(1S,2S)-2-[3-[methyl(propan-2-yl)amino]propylamino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[3-[methyl(propan-2-yl)amino]propylamino]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[3-[methyl(propan-2-yl)amino]propylamino]cyclohexan-1-ol is CC(C)N(C)CCCN[C@H]1CCCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-[3-[methyl(propan-2-yl)amino]propylamino]cyclohexan-1-ol?
The InChIKey is NFZSPURHMFBOQC-STQMWFEESA-N. The full InChI is InChI=1S/C13H28N2O/c1-11(2)15(3)10-6-9-14-12-7-4-5-8-13(12)16/h11-14,16H,4-10H2,1-3H3/t12-,13-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[3-[methyl(propan-2-yl)amino]propylamino]cyclohexan-1-ol?
trans-(1S,2S)-2-[3-[methyl(propan-2-yl)amino]propylamino]cyclohexan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[3-[methyl(propan-2-yl)amino]propylamino]cyclohexan-1-ol is sourced from PubChem (CID 106045825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).