(2-butylindolizin-3-yl)-[4-[3-[cyclopropylmethyl(propyl)amino]propyl]phenyl]methanone;hydrochloride

C29H39ClN2O — CID 16734133

IUPAC(2-butylindolizin-3-yl)-[4-[3-[cyclopropylmethyl(propyl)amino]propyl]phenyl]methanone;hydrochloride
SMILESCCCCc1cc2ccccn2c1C(=O)c1ccc(CCCN(CCC)CC2CC2)cc1.Cl
InChIInChI=1S/C29H38N2O.ClH/c1-3-5-10-26-21-27-11-6-7-20-31(27)28(26)29(32)25-16-14-23(15-17-25)9-8-19-30(18-4-2)22-24-12-13-24;/h6-7,11,14-17,20-21,24H,3-5,8-10,12-13,18-19,22H2,1-2H3;1H
InChIKeyCWZVEJZDDJTQNH-UHFFFAOYSA-N
MW467.10 g/mol
LogP6.99
Rot. Bonds13

About (2-butylindolizin-3-yl)-[4-[3-[cyclopropylmethyl(propyl)amino]propyl]phenyl]methanone;hydrochloride

(2-butylindolizin-3-yl)-[4-[3-[cyclopropylmethyl(propyl)amino]propyl]phenyl]methanone;hydrochloride (PubChem CID 16734133) has the molecular formula C29H39ClN2O and a molecular weight of 467.10 g/mol. Its IUPAC name is (2-butylindolizin-3-yl)-[4-[3-[cyclopropylmethyl(propyl)amino]propyl]phenyl]methanone;hydrochloride.

Molecular Properties

Compound Name(2-butylindolizin-3-yl)-[4-[3-[cyclopropylmethyl(propyl)amino]propyl]phenyl]methanone;hydrochloride
PubChem CID16734133
Molecular FormulaC29H39ClN2O
Molecular Weight467.10 g/mol
Exact Mass466.28
IUPAC Name(2-butylindolizin-3-yl)-[4-[3-[cyclopropylmethyl(propyl)amino]propyl]phenyl]methanone;hydrochloride
SMILESCCCCc1cc2ccccn2c1C(=O)c1ccc(CCCN(CCC)CC2CC2)cc1.Cl
InChIInChI=1S/C29H38N2O.ClH/c1-3-5-10-26-21-27-11-6-7-20-31(27)28(26)29(32)25-16-14-23(15-17-25)9-8-19-30(18-4-2)22-24-12-13-24;/h6-7,11,14-17,20-21,24H,3-5,8-10,12-13,18-19,22H2,1-2H3;1H
InChIKeyCWZVEJZDDJTQNH-UHFFFAOYSA-N
XLogP6.99
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.10
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-butylindolizin-3-yl)-[4-[3-[cyclopropylmethyl(propyl)amino]propyl]phenyl]methanone;hydrochloride with MolForge

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Related Compounds

(2-butylindolizin-3-yl)-[4-[3-[cyclopropylmethyl(propyl)amino]propyl]phenyl]methanone
CID 16734134
(2-butylindolizin-3-yl)-[4-[3-(dipropylamino)propyl]phenyl]methanone
CID 16733878
[4-[4-(diethylamino)butyl]phenyl]-(2-propylindolizin-3-yl)methanone;hydrochloride
CID 16733875
(2-butylindolizin-3-yl)-[4-[3-(propylamino)propyl]phenyl]methanone;hydrochloride
CID 16734825
5-(2-butylindolizine-3-carbonyl)-8-[3-[butyl(propyl)amino]propyl]-1,4-benzodioxine-2,3-dione
CID 140531891
2-butyl-3-[4-[3-(dibutylamino)propyl]benzoyl]-N-propan-2-yl-N-(2-propan-2-yloxyethyl)indolizine-7-carboxamide
CID 57334659
methyl (2S)-2-[[2-butyl-3-[4-[3-(dibutylamino)propyl]benzoyl]indolizine-7-carbonyl]-ethylamino]propanoate
CID 57334658
methane;methyl (2S)-2-[[2-butyl-3-[4-[3-(dibutylamino)propyl]benzoyl]indolizine-7-carbonyl]-ethylamino]propanoate
CID 161476051
[4-[3-(dibutylamino)propoxy]phenyl]-(2-phenylindolizin-3-yl)methanone
CID 12844816
N-(cyclopropylmethyl)-N-ethyl-3-phenylpropan-1-amine
CID 102476941
(3,5-dichloro-4-hydroxyphenyl)-(2-ethylindolizin-3-yl)methanone
CID 13029405
N-(cyclopropylmethyl)-N-propylpentan-1-amine
CID 89142496

Frequently Asked Questions

What is the IUPAC name of (2-butylindolizin-3-yl)-[4-[3-[cyclopropylmethyl(propyl)amino]propyl]phenyl]methanone;hydrochloride?
The IUPAC name of (2-butylindolizin-3-yl)-[4-[3-[cyclopropylmethyl(propyl)amino]propyl]phenyl]methanone;hydrochloride (CID 16734133) is (2-butylindolizin-3-yl)-[4-[3-[cyclopropylmethyl(propyl)amino]propyl]phenyl]methanone;hydrochloride.
What is the SMILES notation for (2-butylindolizin-3-yl)-[4-[3-[cyclopropylmethyl(propyl)amino]propyl]phenyl]methanone;hydrochloride?
The canonical SMILES for (2-butylindolizin-3-yl)-[4-[3-[cyclopropylmethyl(propyl)amino]propyl]phenyl]methanone;hydrochloride is CCCCc1cc2ccccn2c1C(=O)c1ccc(CCCN(CCC)CC2CC2)cc1.Cl.
What is the InChIKey of (2-butylindolizin-3-yl)-[4-[3-[cyclopropylmethyl(propyl)amino]propyl]phenyl]methanone;hydrochloride?
The InChIKey is CWZVEJZDDJTQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N2O.ClH/c1-3-5-10-26-21-27-11-6-7-20-31(27)28(26)29(32)25-16-14-23(15-17-25)9-8-19-30(18-4-2)22-24-12-13-24;/h6-7,11,14-17,20-21,24H,3-5,8-10,12-13,18-19,22H2,1-2H3;1H.
What are the key properties of (2-butylindolizin-3-yl)-[4-[3-[cyclopropylmethyl(propyl)amino]propyl]phenyl]methanone;hydrochloride?
(2-butylindolizin-3-yl)-[4-[3-[cyclopropylmethyl(propyl)amino]propyl]phenyl]methanone;hydrochloride has a molecular weight of 467.10 g/mol, XLogP of 6.99, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butylindolizin-3-yl)-[4-[3-[cyclopropylmethyl(propyl)amino]propyl]phenyl]methanone;hydrochloride is sourced from PubChem (CID 16734133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).