1-(4-methyl-3-pyridinyl)-N-propylpent-4-en-1-amine

C14H22N2 — CID 114878598

IUPAC1-(4-methyl-3-pyridinyl)-N-propylpent-4-en-1-amine
SMILESC=CCCC(NCCC)c1cnccc1C
InChIInChI=1S/C14H22N2/c1-4-6-7-14(16-9-5-2)13-11-15-10-8-12(13)3/h4,8,10-11,14,16H,1,5-7,9H2,2-3H3
InChIKeyPAVNZLSXRSQUOQ-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.40
Rot. Bonds7

About 1-(4-methyl-3-pyridinyl)-N-propylpent-4-en-1-amine

1-(4-methyl-3-pyridinyl)-N-propylpent-4-en-1-amine (PubChem CID 114878598) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-(4-methyl-3-pyridinyl)-N-propylpent-4-en-1-amine.

Molecular Properties

Compound Name1-(4-methyl-3-pyridinyl)-N-propylpent-4-en-1-amine
PubChem CID114878598
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-(4-methyl-3-pyridinyl)-N-propylpent-4-en-1-amine
SMILESC=CCCC(NCCC)c1cnccc1C
InChIInChI=1S/C14H22N2/c1-4-6-7-14(16-9-5-2)13-11-15-10-8-12(13)3/h4,8,10-11,14,16H,1,5-7,9H2,2-3H3
InChIKeyPAVNZLSXRSQUOQ-UHFFFAOYSA-N
XLogP3.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,6-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 114878534
1-(4-methyl-3-pyridinyl)hex-5-enylhydrazine
CID 105279755
5-methyl-1-(3-methyl-4-pyridinyl)-N-propylhexan-1-amine
CID 83161609
N-[2-(3,5-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 66274194
N-ethyl-1-(4-methyl-3-pyridinyl)pentan-1-amine
CID 79405563
N-[1-(4-methyl-3-pyridinyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine
CID 114878605
1-(3-methylimidazol-4-yl)-N-propylpent-4-en-1-amine
CID 82902041
N-[2-(1-methylpyrazol-4-yl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 114878627
N-[(4-methyl-3-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine
CID 66271195
1-(5-methylthiophen-2-yl)-N-propylpent-4-en-1-amine
CID 104987443
N-[2-(4-bromophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 66274003
1-(5-bromo-2-methylphenyl)-N-propyloct-7-en-1-amine
CID 107011647

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3-pyridinyl)-N-propylpent-4-en-1-amine?
The IUPAC name of 1-(4-methyl-3-pyridinyl)-N-propylpent-4-en-1-amine (CID 114878598) is 1-(4-methyl-3-pyridinyl)-N-propylpent-4-en-1-amine.
What is the SMILES notation for 1-(4-methyl-3-pyridinyl)-N-propylpent-4-en-1-amine?
The canonical SMILES for 1-(4-methyl-3-pyridinyl)-N-propylpent-4-en-1-amine is C=CCCC(NCCC)c1cnccc1C.
What is the InChIKey of 1-(4-methyl-3-pyridinyl)-N-propylpent-4-en-1-amine?
The InChIKey is PAVNZLSXRSQUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-4-6-7-14(16-9-5-2)13-11-15-10-8-12(13)3/h4,8,10-11,14,16H,1,5-7,9H2,2-3H3.
What are the key properties of 1-(4-methyl-3-pyridinyl)-N-propylpent-4-en-1-amine?
1-(4-methyl-3-pyridinyl)-N-propylpent-4-en-1-amine has a molecular weight of 218.34 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3-pyridinyl)-N-propylpent-4-en-1-amine is sourced from PubChem (CID 114878598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).