trans-(1R,2R)-2-(3-methylbutan-2-ylamino)cycloheptan-1-ol

C12H25NO — CID 130690757

IUPACtrans-(1R,2R)-2-(3-methylbutan-2-ylamino)cycloheptan-1-ol
SMILESCC(C)C(C)N[C@@H]1CCCCC[C@H]1O
InChIInChI=1S/C12H25NO/c1-9(2)10(3)13-11-7-5-4-6-8-12(11)14/h9-14H,4-8H2,1-3H3/t10?,11-,12-/m1/s1
InChIKeyGSZYKEIIRZOXQY-PQDIPPBSSA-N
MW199.34 g/mol
LogP2.31
Rot. Bonds3

About trans-(1R,2R)-2-(3-methylbutan-2-ylamino)cycloheptan-1-ol

trans-(1R,2R)-2-(3-methylbutan-2-ylamino)cycloheptan-1-ol (PubChem CID 130690757) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is trans-(1R,2R)-2-(3-methylbutan-2-ylamino)cycloheptan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(3-methylbutan-2-ylamino)cycloheptan-1-ol
PubChem CID130690757
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Nametrans-(1R,2R)-2-(3-methylbutan-2-ylamino)cycloheptan-1-ol
SMILESCC(C)C(C)N[C@@H]1CCCCC[C@H]1O
InChIInChI=1S/C12H25NO/c1-9(2)10(3)13-11-7-5-4-6-8-12(11)14/h9-14H,4-8H2,1-3H3/t10?,11-,12-/m1/s1
InChIKeyGSZYKEIIRZOXQY-PQDIPPBSSA-N
XLogP2.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-[[(2S)-3-methylbutan-2-yl]amino]cyclopentan-1-ol
CID 167275295
trans-(1S,2S)-2-(3-methylbutan-2-ylamino)cyclopentan-1-ol
CID 102733069
(2R)-2-(propan-2-ylamino)cycloheptan-1-ol
CID 166814951
2-(1,1-difluoropropan-2-ylamino)cycloheptan-1-ol
CID 102869994
cis-(1R,2S)-2-[[(2S,3S)-3-methylpentan-2-yl]amino]cyclohexan-1-ol
CID 124709342
2-(3,3-dimethylbutan-2-ylamino)cyclohexan-1-ol
CID 104828064
2-[[(1R)-1-cycloheptylethyl]amino]cycloheptan-1-ol
CID 81392910
2-[[(1R)-1-cyclopentylethyl]amino]cycloheptan-1-ol
CID 81395053
2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]cycloheptan-1-ol
CID 106160712
trans-(1R,2R)-2-[[(1S)-1-cyclopropylethyl]amino]cyclohexan-1-ol
CID 124679605
cis-(1R,2S)-2-(methylamino)cyclononan-1-ol
CID 138485260
trans-(1R,2R)-2-(3-ethylpentan-2-ylamino)cyclopentan-1-ol
CID 102733490

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(3-methylbutan-2-ylamino)cycloheptan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(3-methylbutan-2-ylamino)cycloheptan-1-ol (CID 130690757) is trans-(1R,2R)-2-(3-methylbutan-2-ylamino)cycloheptan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(3-methylbutan-2-ylamino)cycloheptan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(3-methylbutan-2-ylamino)cycloheptan-1-ol is CC(C)C(C)N[C@@H]1CCCCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-(3-methylbutan-2-ylamino)cycloheptan-1-ol?
The InChIKey is GSZYKEIIRZOXQY-PQDIPPBSSA-N. The full InChI is InChI=1S/C12H25NO/c1-9(2)10(3)13-11-7-5-4-6-8-12(11)14/h9-14H,4-8H2,1-3H3/t10?,11-,12-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(3-methylbutan-2-ylamino)cycloheptan-1-ol?
trans-(1R,2R)-2-(3-methylbutan-2-ylamino)cycloheptan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(3-methylbutan-2-ylamino)cycloheptan-1-ol is sourced from PubChem (CID 130690757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).