trans-(1R,2R)-2-(3-ethylpentan-2-ylamino)cyclopentan-1-ol

C12H25NO — CID 102733490

IUPACtrans-(1R,2R)-2-(3-ethylpentan-2-ylamino)cyclopentan-1-ol
SMILESCCC(CC)C(C)N[C@@H]1CCC[C@H]1O
InChIInChI=1S/C12H25NO/c1-4-10(5-2)9(3)13-11-7-6-8-12(11)14/h9-14H,4-8H2,1-3H3/t9?,11-,12-/m1/s1
InChIKeyUGGURRMIRGDPLH-JZXPMDSESA-N
MW199.34 g/mol
LogP2.31
Rot. Bonds5

About trans-(1R,2R)-2-(3-ethylpentan-2-ylamino)cyclopentan-1-ol

trans-(1R,2R)-2-(3-ethylpentan-2-ylamino)cyclopentan-1-ol (PubChem CID 102733490) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is trans-(1R,2R)-2-(3-ethylpentan-2-ylamino)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(3-ethylpentan-2-ylamino)cyclopentan-1-ol
PubChem CID102733490
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Nametrans-(1R,2R)-2-(3-ethylpentan-2-ylamino)cyclopentan-1-ol
SMILESCCC(CC)C(C)N[C@@H]1CCC[C@H]1O
InChIInChI=1S/C12H25NO/c1-4-10(5-2)9(3)13-11-7-6-8-12(11)14/h9-14H,4-8H2,1-3H3/t9?,11-,12-/m1/s1
InChIKeyUGGURRMIRGDPLH-JZXPMDSESA-N
XLogP2.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

cis-(1R,2S)-2-[[(2S,3S)-3-methylpentan-2-yl]amino]cyclohexan-1-ol
CID 124709342
trans-(1S,2S)-2-(3-methylbutan-2-ylamino)cyclopentan-1-ol
CID 102733069
trans-(1R,2R)-2-[[(2S)-3-methylbutan-2-yl]amino]cyclopentan-1-ol
CID 167275295
trans-(1R,2R)-2-[[(2S)-butan-2-yl]amino]cyclohexan-1-ol
CID 124679613
N-(3-ethylpentan-2-yl)-2-methylthian-3-amine
CID 79957150
trans-(1R,2R)-2-(3-methylbutan-2-ylamino)cycloheptan-1-ol
CID 130690757
2-(1-hydroxybutan-2-ylamino)cyclopentan-1-ol
CID 60713643
trans-(1S,2S)-2-(1-hydroxybutan-2-ylamino)cyclopentan-1-ol
CID 102733097
2-(1,1-difluoropropan-2-ylamino)cycloheptan-1-ol
CID 102869994
2-(heptan-4-ylamino)cyclopentan-1-ol
CID 115677217
trans-(1R,2R)-2-(4-methylhexan-2-ylamino)cyclohexan-1-ol
CID 102731345
(2R)-2-(propan-2-ylamino)cycloheptan-1-ol
CID 166814951

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(3-ethylpentan-2-ylamino)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(3-ethylpentan-2-ylamino)cyclopentan-1-ol (CID 102733490) is trans-(1R,2R)-2-(3-ethylpentan-2-ylamino)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(3-ethylpentan-2-ylamino)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(3-ethylpentan-2-ylamino)cyclopentan-1-ol is CCC(CC)C(C)N[C@@H]1CCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-(3-ethylpentan-2-ylamino)cyclopentan-1-ol?
The InChIKey is UGGURRMIRGDPLH-JZXPMDSESA-N. The full InChI is InChI=1S/C12H25NO/c1-4-10(5-2)9(3)13-11-7-6-8-12(11)14/h9-14H,4-8H2,1-3H3/t9?,11-,12-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(3-ethylpentan-2-ylamino)cyclopentan-1-ol?
trans-(1R,2R)-2-(3-ethylpentan-2-ylamino)cyclopentan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.31, 5 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-ethylpentan-2-ylamino)cyclopentan-1-ol is sourced from PubChem (CID 102733490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).