N-propyl-2-(quinolin-2-ylmethylidene)butan-1-amine

C17H22N2 — CID 79329672

IUPACN-propyl-2-(quinolin-2-ylmethylidene)butan-1-amine
SMILESCCCNCC(=Cc1ccc2ccccc2n1)CC
InChIInChI=1S/C17H22N2/c1-3-11-18-13-14(4-2)12-16-10-9-15-7-5-6-8-17(15)19-16/h5-10,12,18H,3-4,11,13H2,1-2H3
InChIKeyOMJMGPYFABDMRH-UHFFFAOYSA-N
MW254.38 g/mol
LogP4.03
Rot. Bonds6

About N-propyl-2-(quinolin-2-ylmethylidene)butan-1-amine

N-propyl-2-(quinolin-2-ylmethylidene)butan-1-amine (PubChem CID 79329672) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-propyl-2-(quinolin-2-ylmethylidene)butan-1-amine.

Molecular Properties

Compound NameN-propyl-2-(quinolin-2-ylmethylidene)butan-1-amine
PubChem CID79329672
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN-propyl-2-(quinolin-2-ylmethylidene)butan-1-amine
SMILESCCCNCC(=Cc1ccc2ccccc2n1)CC
InChIInChI=1S/C17H22N2/c1-3-11-18-13-14(4-2)12-16-10-9-15-7-5-6-8-17(15)19-16/h5-10,12,18H,3-4,11,13H2,1-2H3
InChIKeyOMJMGPYFABDMRH-UHFFFAOYSA-N
XLogP4.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-2-(quinoxalin-2-ylmethylidene)butan-1-amine
CID 79330093
(E)-3-methyl-N-propyl-4-quinolin-2-ylbut-3-en-2-amine
CID 103093597
2-[(2-fluorophenyl)methylidene]-N-propylbutan-1-amine
CID 79329556
2-(2-chloroprop-1-enyl)quinoline
CID 173335992
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]-N-propylbutan-1-amine
CID 79328718
3-methyl-N-propyl-2-(quinoxalin-2-ylmethylidene)butan-1-amine
CID 79339967
2-[[2-(methoxymethyl)phenyl]methylidene]-N-propylbutan-1-amine
CID 79329088
2-[(4-ethylphenyl)methylidene]-N-propylbutan-1-amine
CID 79329321
N-tert-butyl-2-(quinoxalin-2-ylmethylidene)butan-1-amine
CID 79329122
2-[(1-phenylpyrazol-4-yl)methylidene]-N-propylbutan-1-amine
CID 79329897
3-bromo-1-quinolin-2-ylprop-1-en-2-ol
CID 168664823
2-[(4-methyl-1,3-thiazol-2-yl)methylidene]-N-propylbutan-1-amine
CID 104772187

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-(quinolin-2-ylmethylidene)butan-1-amine?
The IUPAC name of N-propyl-2-(quinolin-2-ylmethylidene)butan-1-amine (CID 79329672) is N-propyl-2-(quinolin-2-ylmethylidene)butan-1-amine.
What is the SMILES notation for N-propyl-2-(quinolin-2-ylmethylidene)butan-1-amine?
The canonical SMILES for N-propyl-2-(quinolin-2-ylmethylidene)butan-1-amine is CCCNCC(=Cc1ccc2ccccc2n1)CC.
What is the InChIKey of N-propyl-2-(quinolin-2-ylmethylidene)butan-1-amine?
The InChIKey is OMJMGPYFABDMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-3-11-18-13-14(4-2)12-16-10-9-15-7-5-6-8-17(15)19-16/h5-10,12,18H,3-4,11,13H2,1-2H3.
What are the key properties of N-propyl-2-(quinolin-2-ylmethylidene)butan-1-amine?
N-propyl-2-(quinolin-2-ylmethylidene)butan-1-amine has a molecular weight of 254.38 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-(quinolin-2-ylmethylidene)butan-1-amine is sourced from PubChem (CID 79329672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).