1-cyclopentyl-4-(2-methylpropylamino)-1-phenylbut-2-yn-1-ol

C19H27NO — CID 21148178

IUPAC1-cyclopentyl-4-(2-methylpropylamino)-1-phenylbut-2-yn-1-ol
SMILESCC(C)CNCC#CC(O)(c1ccccc1)C1CCCC1
InChIInChI=1S/C19H27NO/c1-16(2)15-20-14-8-13-19(21,18-11-6-7-12-18)17-9-4-3-5-10-17/h3-5,9-10,16,18,20-21H,6-7,11-12,14-15H2,1-2H3
InChIKeyBBPUSBDCOUJGKP-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.31
Rot. Bonds5

About 1-cyclopentyl-4-(2-methylpropylamino)-1-phenylbut-2-yn-1-ol

1-cyclopentyl-4-(2-methylpropylamino)-1-phenylbut-2-yn-1-ol (PubChem CID 21148178) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-cyclopentyl-4-(2-methylpropylamino)-1-phenylbut-2-yn-1-ol.

Molecular Properties

Compound Name1-cyclopentyl-4-(2-methylpropylamino)-1-phenylbut-2-yn-1-ol
PubChem CID21148178
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name1-cyclopentyl-4-(2-methylpropylamino)-1-phenylbut-2-yn-1-ol
SMILESCC(C)CNCC#CC(O)(c1ccccc1)C1CCCC1
InChIInChI=1S/C19H27NO/c1-16(2)15-20-14-8-13-19(21,18-11-6-7-12-18)17-9-4-3-5-10-17/h3-5,9-10,16,18,20-21H,6-7,11-12,14-15H2,1-2H3
InChIKeyBBPUSBDCOUJGKP-UHFFFAOYSA-N
XLogP3.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-cyclopentyl-1-phenylpent-2-yn-1-ol
CID 59644486
[(4R)-4-cyclopentyl-4-hydroxy-4-phenylbut-2-ynyl]-ethyl-methyl-propan-2-ylazanium
CID 6996794
(1R)-1-cyclopentyl-1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol
CID 750153
4-(azepan-1-ium-1-yl)-1-cyclopentyl-1-phenylbut-2-yn-1-ol
CID 3510563
1-cyclohexyl-1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol
CID 24837075
(4-cyclopentyl-4-hydroxy-4-phenylbut-2-ynyl)-bis(2-hydroxyethyl)azanium
CID 3305805
4-(azepan-1-yl)-1-cyclopentyl-1-phenylbut-2-yn-1-ol;hydrochloride
CID 2915878
1-cyclohexyl-1-phenyl-5-piperidin-1-ylpent-2-yn-1-ol
CID 2835413
1-cyclohexyl-5-(diethylamino)-1-phenylpent-2-yn-1-ol;iodomethane
CID 126477733
(1S)-1-cyclohexyl-4-morpholin-4-ium-4-yl-1-phenylbut-2-yn-1-ol
CID 7332936
2-cyclohexyl-2-hydroxy-2-phenylacetonitrile
CID 87077411
(2S)-2-cyclohexyl-2-hydroxy-2-phenylacetonitrile
CID 134856178

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-(2-methylpropylamino)-1-phenylbut-2-yn-1-ol?
The IUPAC name of 1-cyclopentyl-4-(2-methylpropylamino)-1-phenylbut-2-yn-1-ol (CID 21148178) is 1-cyclopentyl-4-(2-methylpropylamino)-1-phenylbut-2-yn-1-ol.
What is the SMILES notation for 1-cyclopentyl-4-(2-methylpropylamino)-1-phenylbut-2-yn-1-ol?
The canonical SMILES for 1-cyclopentyl-4-(2-methylpropylamino)-1-phenylbut-2-yn-1-ol is CC(C)CNCC#CC(O)(c1ccccc1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-4-(2-methylpropylamino)-1-phenylbut-2-yn-1-ol?
The InChIKey is BBPUSBDCOUJGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-16(2)15-20-14-8-13-19(21,18-11-6-7-12-18)17-9-4-3-5-10-17/h3-5,9-10,16,18,20-21H,6-7,11-12,14-15H2,1-2H3.
What are the key properties of 1-cyclopentyl-4-(2-methylpropylamino)-1-phenylbut-2-yn-1-ol?
1-cyclopentyl-4-(2-methylpropylamino)-1-phenylbut-2-yn-1-ol has a molecular weight of 285.43 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-(2-methylpropylamino)-1-phenylbut-2-yn-1-ol is sourced from PubChem (CID 21148178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).