1-(cyclopentylmethylamino)-3-methylbutan-2-ol

C11H23NO — CID 115907214

IUPAC1-(cyclopentylmethylamino)-3-methylbutan-2-ol
SMILESCC(C)C(O)CNCC1CCCC1
InChIInChI=1S/C11H23NO/c1-9(2)11(13)8-12-7-10-5-3-4-6-10/h9-13H,3-8H2,1-2H3
InChIKeyDSBFYNJHDSZPBB-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.78
Rot. Bonds5

About 1-(cyclopentylmethylamino)-3-methylbutan-2-ol

1-(cyclopentylmethylamino)-3-methylbutan-2-ol (PubChem CID 115907214) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-(cyclopentylmethylamino)-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-(cyclopentylmethylamino)-3-methylbutan-2-ol
PubChem CID115907214
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-(cyclopentylmethylamino)-3-methylbutan-2-ol
SMILESCC(C)C(O)CNCC1CCCC1
InChIInChI=1S/C11H23NO/c1-9(2)11(13)8-12-7-10-5-3-4-6-10/h9-13H,3-8H2,1-2H3
InChIKeyDSBFYNJHDSZPBB-UHFFFAOYSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(cyclopentylmethyl)propan-1-amine
CID 65024059
1-N-(cyclopentylmethyl)propane-1,2-diamine
CID 115196604
3-methyl-1-(pyrrolidin-2-ylmethylamino)butan-2-ol
CID 106639404
N-(cyclopentylmethyl)-2-methylbutan-1-amine
CID 43370775
2-chloro-N-(cyclobutylmethyl)propan-1-amine
CID 65460459
tert-butyl 3-[[(2-hydroxy-3-methylbutyl)amino]methyl]piperidine-1-carboxylate
CID 111434433
(2S)-1-(cyclohexylmethylamino)-5-methylhexan-2-ol
CID 54336883
3-(cyclopentylmethylamino)propane-1,2-diol
CID 60900461
N-(cyclopentylmethyl)-2-ethylbutan-1-amine
CID 43317342
3-(cycloheptylmethylamino)propane-1,2-diol
CID 66176972
3-methyl-1-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]butan-2-ol
CID 114249996
methyl (2R)-3-(cycloheptylmethylamino)-2-methylpropanoate
CID 129354214

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethylamino)-3-methylbutan-2-ol?
The IUPAC name of 1-(cyclopentylmethylamino)-3-methylbutan-2-ol (CID 115907214) is 1-(cyclopentylmethylamino)-3-methylbutan-2-ol.
What is the SMILES notation for 1-(cyclopentylmethylamino)-3-methylbutan-2-ol?
The canonical SMILES for 1-(cyclopentylmethylamino)-3-methylbutan-2-ol is CC(C)C(O)CNCC1CCCC1.
What is the InChIKey of 1-(cyclopentylmethylamino)-3-methylbutan-2-ol?
The InChIKey is DSBFYNJHDSZPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(2)11(13)8-12-7-10-5-3-4-6-10/h9-13H,3-8H2,1-2H3.
What are the key properties of 1-(cyclopentylmethylamino)-3-methylbutan-2-ol?
1-(cyclopentylmethylamino)-3-methylbutan-2-ol has a molecular weight of 185.31 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethylamino)-3-methylbutan-2-ol is sourced from PubChem (CID 115907214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).