trans-(1R,2R)-2-[[(2S)-heptan-2-yl]amino]cyclohexan-1-ol

C13H27NO — CID 124618869

IUPACtrans-(1R,2R)-2-[[(2S)-heptan-2-yl]amino]cyclohexan-1-ol
SMILESCCCCC[C@H](C)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C13H27NO/c1-3-4-5-8-11(2)14-12-9-6-7-10-13(12)15/h11-15H,3-10H2,1-2H3/t11-,12+,13+/m0/s1
InChIKeyDBCDDGLDBZLTNI-YNEHKIRRSA-N
MW213.36 g/mol
LogP2.85
Rot. Bonds6

About trans-(1R,2R)-2-[[(2S)-heptan-2-yl]amino]cyclohexan-1-ol

trans-(1R,2R)-2-[[(2S)-heptan-2-yl]amino]cyclohexan-1-ol (PubChem CID 124618869) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is trans-(1R,2R)-2-[[(2S)-heptan-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[[(2S)-heptan-2-yl]amino]cyclohexan-1-ol
PubChem CID124618869
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Nametrans-(1R,2R)-2-[[(2S)-heptan-2-yl]amino]cyclohexan-1-ol
SMILESCCCCC[C@H](C)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C13H27NO/c1-3-4-5-8-11(2)14-12-9-6-7-10-13(12)15/h11-15H,3-10H2,1-2H3/t11-,12+,13+/m0/s1
InChIKeyDBCDDGLDBZLTNI-YNEHKIRRSA-N
XLogP2.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trans-(1S,2S)-2-[[(2S)-pentan-2-yl]amino]cyclohexan-1-ol
CID 93317537
trans-(1R,2R)-2-(pentan-2-ylamino)cyclohexan-1-ol
CID 104926547
cis-(1S,2R)-2-[[(2S)-pentan-2-yl]amino]cyclohexan-1-ol
CID 93317535
trans-(1R,2R)-2-[[(2S)-butan-2-yl]amino]cyclohexan-1-ol
CID 124679613
[2-(octan-2-ylamino)cyclopentyl]methanol
CID 115723808
N-heptan-2-ylcycloheptanamine
CID 43082272
cis-(1R,2S)-2-[[(2S)-4-methylpentan-2-yl]amino]cyclohexan-1-ol
CID 124710665
trans-(1R,2R)-2-(4-methylhexan-2-ylamino)cyclohexan-1-ol
CID 102731345
N-octan-2-ylcyclohexanamine
CID 13244945
N-nonan-2-ylcyclohexanamine
CID 43129679
trans-(1R,2R)-2-(1-ethylsulfanylpropan-2-ylamino)cyclohexan-1-ol
CID 102731732
N-hexan-2-yl-2-methoxycyclohexan-1-amine
CID 62199829

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[[(2S)-heptan-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[[(2S)-heptan-2-yl]amino]cyclohexan-1-ol (CID 124618869) is trans-(1R,2R)-2-[[(2S)-heptan-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[[(2S)-heptan-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[[(2S)-heptan-2-yl]amino]cyclohexan-1-ol is CCCCC[C@H](C)N[C@@H]1CCCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-[[(2S)-heptan-2-yl]amino]cyclohexan-1-ol?
The InChIKey is DBCDDGLDBZLTNI-YNEHKIRRSA-N. The full InChI is InChI=1S/C13H27NO/c1-3-4-5-8-11(2)14-12-9-6-7-10-13(12)15/h11-15H,3-10H2,1-2H3/t11-,12+,13+/m0/s1.
What are the key properties of trans-(1R,2R)-2-[[(2S)-heptan-2-yl]amino]cyclohexan-1-ol?
trans-(1R,2R)-2-[[(2S)-heptan-2-yl]amino]cyclohexan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[[(2S)-heptan-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 124618869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).