1-(4-methylquinolin-2-yl)-N-propylhex-5-en-1-amine

C19H26N2 — CID 114755324

IUPAC1-(4-methylquinolin-2-yl)-N-propylhex-5-en-1-amine
SMILESC=CCCCC(NCCC)c1cc(C)c2ccccc2n1
InChIInChI=1S/C19H26N2/c1-4-6-7-12-18(20-13-5-2)19-14-15(3)16-10-8-9-11-17(16)21-19/h4,8-11,14,18,20H,1,5-7,12-13H2,2-3H3
InChIKeyQJAMSZBXKFMHHE-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.94
Rot. Bonds8

About 1-(4-methylquinolin-2-yl)-N-propylhex-5-en-1-amine

1-(4-methylquinolin-2-yl)-N-propylhex-5-en-1-amine (PubChem CID 114755324) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-(4-methylquinolin-2-yl)-N-propylhex-5-en-1-amine.

Molecular Properties

Compound Name1-(4-methylquinolin-2-yl)-N-propylhex-5-en-1-amine
PubChem CID114755324
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name1-(4-methylquinolin-2-yl)-N-propylhex-5-en-1-amine
SMILESC=CCCCC(NCCC)c1cc(C)c2ccccc2n1
InChIInChI=1S/C19H26N2/c1-4-6-7-12-18(20-13-5-2)19-14-15(3)16-10-8-9-11-17(16)21-19/h4,8-11,14,18,20H,1,5-7,12-13H2,2-3H3
InChIKeyQJAMSZBXKFMHHE-UHFFFAOYSA-N
XLogP4.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.94
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

3-methyl-1-(4-methylquinolin-2-yl)-N-propylbut-3-en-1-amine
CID 114755354
1-(4-methylquinolin-2-yl)pent-4-en-1-amine
CID 114755015
N-propyl-1-pyridin-2-yloct-7-en-1-amine
CID 107008851
1-(1-methylpyrazol-3-yl)-N-propylhex-5-en-1-amine
CID 65197711
4-methoxy-N-methyl-1-(4-methylquinolin-2-yl)butan-1-amine
CID 114857319
1-(2-chloro-3-methylphenyl)-N-propylhex-5-en-1-amine
CID 104987124
(1R)-1-(4-methylquinolin-2-yl)butan-1-ol
CID 104969389
N-ethyl-1-(4-methylquinolin-2-yl)ethanamine
CID 114755257
1-(4-tert-butylphenyl)-N-propylhex-5-en-1-amine
CID 104986877
1-(2-methylpyrazol-3-yl)-N-propylhex-5-en-1-amine
CID 105153281
1-(2,6-dimethyl-3-pyridinyl)-N-propyloct-7-en-1-amine
CID 107011930
1-(1-benzofuran-2-yl)-N-propyloct-7-en-1-amine
CID 107009087

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylquinolin-2-yl)-N-propylhex-5-en-1-amine?
The IUPAC name of 1-(4-methylquinolin-2-yl)-N-propylhex-5-en-1-amine (CID 114755324) is 1-(4-methylquinolin-2-yl)-N-propylhex-5-en-1-amine.
What is the SMILES notation for 1-(4-methylquinolin-2-yl)-N-propylhex-5-en-1-amine?
The canonical SMILES for 1-(4-methylquinolin-2-yl)-N-propylhex-5-en-1-amine is C=CCCCC(NCCC)c1cc(C)c2ccccc2n1.
What is the InChIKey of 1-(4-methylquinolin-2-yl)-N-propylhex-5-en-1-amine?
The InChIKey is QJAMSZBXKFMHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-4-6-7-12-18(20-13-5-2)19-14-15(3)16-10-8-9-11-17(16)21-19/h4,8-11,14,18,20H,1,5-7,12-13H2,2-3H3.
What are the key properties of 1-(4-methylquinolin-2-yl)-N-propylhex-5-en-1-amine?
1-(4-methylquinolin-2-yl)-N-propylhex-5-en-1-amine has a molecular weight of 282.43 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylquinolin-2-yl)-N-propylhex-5-en-1-amine is sourced from PubChem (CID 114755324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).