1-cyclopentyl-3-(2,3,3-trimethylbutylamino)propan-2-ol

C15H31NO — CID 103158223

IUPAC1-cyclopentyl-3-(2,3,3-trimethylbutylamino)propan-2-ol
SMILESCC(CNCC(O)CC1CCCC1)C(C)(C)C
InChIInChI=1S/C15H31NO/c1-12(15(2,3)4)10-16-11-14(17)9-13-7-5-6-8-13/h12-14,16-17H,5-11H2,1-4H3
InChIKeyGETYLGNWCYHQBH-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.20
Rot. Bonds6

About 1-cyclopentyl-3-(2,3,3-trimethylbutylamino)propan-2-ol

1-cyclopentyl-3-(2,3,3-trimethylbutylamino)propan-2-ol (PubChem CID 103158223) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-cyclopentyl-3-(2,3,3-trimethylbutylamino)propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-(2,3,3-trimethylbutylamino)propan-2-ol
PubChem CID103158223
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name1-cyclopentyl-3-(2,3,3-trimethylbutylamino)propan-2-ol
SMILESCC(CNCC(O)CC1CCCC1)C(C)(C)C
InChIInChI=1S/C15H31NO/c1-12(15(2,3)4)10-16-11-14(17)9-13-7-5-6-8-13/h12-14,16-17H,5-11H2,1-4H3
InChIKeyGETYLGNWCYHQBH-UHFFFAOYSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-cyclopentyl-2-hydroxypropyl)amino]-3-methylbutan-2-ol
CID 103158372
1-cyclopentyl-3-(2-propan-2-yloxyethylamino)propan-2-ol
CID 103158287
1-cyclopentyl-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 103157182
1-cyclopentyl-3-(1-cyclopentylethylamino)propan-2-ol
CID 103157832
2-[(3-cyclopentyl-2-hydroxypropyl)amino]-N-methylacetamide
CID 103157245
1-cyclopentyl-3-(3-hydroxypropylamino)propan-2-ol
CID 103157277
3-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]cyclobutan-1-ol
CID 103157965
1-cyclopentyl-3-hydrazinylpropan-2-ol
CID 103156923
6-[(3-cyclopentyl-2-hydroxypropyl)amino]-4,4-dimethylhexanoic acid
CID 103159401
1-(but-3-enylamino)-3-cyclopentylpropan-2-ol
CID 103158305
1-(but-3-en-2-ylamino)-3-cyclopentylpropan-2-ol
CID 103158328
1-cyclopentyl-3-[(2-methylcyclopentyl)methylamino]propan-2-ol
CID 107418138

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(2,3,3-trimethylbutylamino)propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-(2,3,3-trimethylbutylamino)propan-2-ol (CID 103158223) is 1-cyclopentyl-3-(2,3,3-trimethylbutylamino)propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-(2,3,3-trimethylbutylamino)propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-(2,3,3-trimethylbutylamino)propan-2-ol is CC(CNCC(O)CC1CCCC1)C(C)(C)C.
What is the InChIKey of 1-cyclopentyl-3-(2,3,3-trimethylbutylamino)propan-2-ol?
The InChIKey is GETYLGNWCYHQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-12(15(2,3)4)10-16-11-14(17)9-13-7-5-6-8-13/h12-14,16-17H,5-11H2,1-4H3.
What are the key properties of 1-cyclopentyl-3-(2,3,3-trimethylbutylamino)propan-2-ol?
1-cyclopentyl-3-(2,3,3-trimethylbutylamino)propan-2-ol has a molecular weight of 241.42 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(2,3,3-trimethylbutylamino)propan-2-ol is sourced from PubChem (CID 103158223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).