N-propyl-5-quinolin-4-ylpent-3-en-1-amine

C17H22N2 — CID 79592748

IUPACN-propyl-5-quinolin-4-ylpent-3-en-1-amine
SMILESCCCNCCC=CCc1ccnc2ccccc12
InChIInChI=1S/C17H22N2/c1-2-12-18-13-7-3-4-8-15-11-14-19-17-10-6-5-9-16(15)17/h3-6,9-11,14,18H,2,7-8,12-13H2,1H3
InChIKeyLLNYFOJQVYLZGC-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.72
Rot. Bonds7

About N-propyl-5-quinolin-4-ylpent-3-en-1-amine

N-propyl-5-quinolin-4-ylpent-3-en-1-amine (PubChem CID 79592748) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-propyl-5-quinolin-4-ylpent-3-en-1-amine.

Molecular Properties

Compound NameN-propyl-5-quinolin-4-ylpent-3-en-1-amine
PubChem CID79592748
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN-propyl-5-quinolin-4-ylpent-3-en-1-amine
SMILESCCCNCCC=CCc1ccnc2ccccc12
InChIInChI=1S/C17H22N2/c1-2-12-18-13-7-3-4-8-15-11-14-19-17-10-6-5-9-16(15)17/h3-6,9-11,14,18H,2,7-8,12-13H2,1H3
InChIKeyLLNYFOJQVYLZGC-UHFFFAOYSA-N
XLogP3.72
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-N-propyl-N'-quinolin-4-ylethane-1,2-diamine
CID 62593732
N-(quinolin-4-ylmethyl)ethanamine
CID 58978367
5-(1-ethylindazol-3-yl)-N-propylpent-3-en-1-amine
CID 79591595
N-(2-methoxyethyl)-4-methyl-5-quinolin-4-ylpent-3-en-1-amine
CID 79609369
N-[[2-(quinolin-4-ylmethyl)cyclopentyl]methyl]propan-1-amine
CID 81026825
(E)-5-(2,6-difluorophenyl)-N-propylpent-3-en-1-amine
CID 114935075
3-ethyl-N-propyl-1-quinolin-4-ylpentan-2-amine
CID 104997448
5-(4-methylphenyl)-N-propylpent-3-en-1-amine
CID 79591599
N-propyl-5-thiophen-2-ylpent-3-en-1-amine
CID 79593415
(E)-5-(5-bromo-2-pyridinyl)-N-propylpent-3-en-1-amine
CID 104813629
1-N,1-N-dimethyl-2-N-propyl-3-quinolin-4-ylpropane-1,2-diamine
CID 79093124
N'-methyl-N-propyl-N'-quinazolin-4-ylethane-1,2-diamine
CID 62593023

Frequently Asked Questions

What is the IUPAC name of N-propyl-5-quinolin-4-ylpent-3-en-1-amine?
The IUPAC name of N-propyl-5-quinolin-4-ylpent-3-en-1-amine (CID 79592748) is N-propyl-5-quinolin-4-ylpent-3-en-1-amine.
What is the SMILES notation for N-propyl-5-quinolin-4-ylpent-3-en-1-amine?
The canonical SMILES for N-propyl-5-quinolin-4-ylpent-3-en-1-amine is CCCNCCC=CCc1ccnc2ccccc12.
What is the InChIKey of N-propyl-5-quinolin-4-ylpent-3-en-1-amine?
The InChIKey is LLNYFOJQVYLZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-2-12-18-13-7-3-4-8-15-11-14-19-17-10-6-5-9-16(15)17/h3-6,9-11,14,18H,2,7-8,12-13H2,1H3.
What are the key properties of N-propyl-5-quinolin-4-ylpent-3-en-1-amine?
N-propyl-5-quinolin-4-ylpent-3-en-1-amine has a molecular weight of 254.38 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-5-quinolin-4-ylpent-3-en-1-amine is sourced from PubChem (CID 79592748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).