(2S)-2-[(3,3-dimethylcyclopentyl)amino]-3-methylbutan-1-ol

C12H25NO — CID 80705967

IUPAC(2S)-2-[(3,3-dimethylcyclopentyl)amino]-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)NC1CCC(C)(C)C1
InChIInChI=1S/C12H25NO/c1-9(2)11(8-14)13-10-5-6-12(3,4)7-10/h9-11,13-14H,5-8H2,1-4H3/t10?,11-/m1/s1
InChIKeyNFVASUOCEMTLGM-RRKGBCIJSA-N
MW199.34 g/mol
LogP2.17
Rot. Bonds4

About (2S)-2-[(3,3-dimethylcyclopentyl)amino]-3-methylbutan-1-ol

(2S)-2-[(3,3-dimethylcyclopentyl)amino]-3-methylbutan-1-ol (PubChem CID 80705967) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (2S)-2-[(3,3-dimethylcyclopentyl)amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(3,3-dimethylcyclopentyl)amino]-3-methylbutan-1-ol
PubChem CID80705967
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(2S)-2-[(3,3-dimethylcyclopentyl)amino]-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)NC1CCC(C)(C)C1
InChIInChI=1S/C12H25NO/c1-9(2)11(8-14)13-10-5-6-12(3,4)7-10/h9-11,13-14H,5-8H2,1-4H3/t10?,11-/m1/s1
InChIKeyNFVASUOCEMTLGM-RRKGBCIJSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(4,4-dimethylcyclohexyl)amino]-3-methylbutan-1-ol
CID 79254694
3-methyl-2-[(3,3,5-trimethylcyclohexyl)amino]butan-1-ol
CID 79253848
2-[(2,2-dimethyloxan-4-yl)amino]-3-methylbutan-1-ol
CID 79254749
(2R)-2-[[(1S)-3,3-dimethylcyclohexyl]amino]propan-1-ol
CID 96710709
3-methyl-2-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol
CID 79903001
2-[(3,3-dimethylcyclopentyl)amino]-3-methylbutanoic acid
CID 80704929
2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-3-methylbutan-1-ol
CID 79903083
N-[(1R)-1-cyclopentylethyl]-3,3-dimethylcyclopentan-1-amine
CID 81395492
4,4-dimethyl-N-(2-methylpentan-3-yl)cycloheptan-1-amine
CID 65083653
(2S)-2-[(2,2-dimethylcyclopentyl)amino]-3-methylbutan-1-ol
CID 79857329
(2R)-2-[(3,3-dimethylcyclopentyl)amino]propanamide
CID 130676096
N-[1-(1-chlorocyclopropyl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 164650333

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3,3-dimethylcyclopentyl)amino]-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-[(3,3-dimethylcyclopentyl)amino]-3-methylbutan-1-ol (CID 80705967) is (2S)-2-[(3,3-dimethylcyclopentyl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-[(3,3-dimethylcyclopentyl)amino]-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-[(3,3-dimethylcyclopentyl)amino]-3-methylbutan-1-ol is CC(C)[C@@H](CO)NC1CCC(C)(C)C1.
What is the InChIKey of (2S)-2-[(3,3-dimethylcyclopentyl)amino]-3-methylbutan-1-ol?
The InChIKey is NFVASUOCEMTLGM-RRKGBCIJSA-N. The full InChI is InChI=1S/C12H25NO/c1-9(2)11(8-14)13-10-5-6-12(3,4)7-10/h9-11,13-14H,5-8H2,1-4H3/t10?,11-/m1/s1.
What are the key properties of (2S)-2-[(3,3-dimethylcyclopentyl)amino]-3-methylbutan-1-ol?
(2S)-2-[(3,3-dimethylcyclopentyl)amino]-3-methylbutan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3,3-dimethylcyclopentyl)amino]-3-methylbutan-1-ol is sourced from PubChem (CID 80705967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).