1-(3-ethyl-2-pyridinyl)-N-propylpent-4-yn-1-amine

C15H22N2 — CID 82741096

IUPAC1-(3-ethyl-2-pyridinyl)-N-propylpent-4-yn-1-amine
SMILESC#CCCC(NCCC)c1ncccc1CC
InChIInChI=1S/C15H22N2/c1-4-7-10-14(16-11-5-2)15-13(6-3)9-8-12-17-15/h1,8-9,12,14,16H,5-7,10-11H2,2-3H3
InChIKeyDJUPMUGNAIWSTP-UHFFFAOYSA-N
MW230.36 g/mol
LogP3.10
Rot. Bonds7

About 1-(3-ethyl-2-pyridinyl)-N-propylpent-4-yn-1-amine

1-(3-ethyl-2-pyridinyl)-N-propylpent-4-yn-1-amine (PubChem CID 82741096) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 1-(3-ethyl-2-pyridinyl)-N-propylpent-4-yn-1-amine.

Molecular Properties

Compound Name1-(3-ethyl-2-pyridinyl)-N-propylpent-4-yn-1-amine
PubChem CID82741096
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name1-(3-ethyl-2-pyridinyl)-N-propylpent-4-yn-1-amine
SMILESC#CCCC(NCCC)c1ncccc1CC
InChIInChI=1S/C15H22N2/c1-4-7-10-14(16-11-5-2)15-13(6-3)9-8-12-17-15/h1,8-9,12,14,16H,5-7,10-11H2,2-3H3
InChIKeyDJUPMUGNAIWSTP-UHFFFAOYSA-N
XLogP3.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethyl-2-pyridinyl)-N-propylheptan-1-amine
CID 82740601
1-(3-ethyl-2-pyridinyl)-3-methylsulfonyl-N-propylpropan-1-amine
CID 82730810
1-(3-ethyl-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 82741172
3-[2-(3-ethyl-2-pyridinyl)-2-(propylamino)ethyl]pyridin-2-amine
CID 82732814
N-[2-cyclopropyl-1-(3-ethyl-2-pyridinyl)ethyl]propan-1-amine
CID 82741722
1-(3-ethyl-2-pyridinyl)-2-methyl-N-propylpentan-1-amine
CID 114013829
1-(3-chloro-2-pyridinyl)-N-propylbutan-1-amine
CID 103444817
N-[1-(3-ethyl-2-pyridinyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107050759
N-[1-(3-ethyl-2-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 82740928
1-(2-chlorophenyl)-N-propylpent-4-yn-1-amine
CID 63655900
N-propyl-1-thiophen-2-ylpent-4-yn-1-amine
CID 63657512
N-propyl-1-pyridin-4-ylhept-6-yn-3-amine
CID 105149151

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-pyridinyl)-N-propylpent-4-yn-1-amine?
The IUPAC name of 1-(3-ethyl-2-pyridinyl)-N-propylpent-4-yn-1-amine (CID 82741096) is 1-(3-ethyl-2-pyridinyl)-N-propylpent-4-yn-1-amine.
What is the SMILES notation for 1-(3-ethyl-2-pyridinyl)-N-propylpent-4-yn-1-amine?
The canonical SMILES for 1-(3-ethyl-2-pyridinyl)-N-propylpent-4-yn-1-amine is C#CCCC(NCCC)c1ncccc1CC.
What is the InChIKey of 1-(3-ethyl-2-pyridinyl)-N-propylpent-4-yn-1-amine?
The InChIKey is DJUPMUGNAIWSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-4-7-10-14(16-11-5-2)15-13(6-3)9-8-12-17-15/h1,8-9,12,14,16H,5-7,10-11H2,2-3H3.
What are the key properties of 1-(3-ethyl-2-pyridinyl)-N-propylpent-4-yn-1-amine?
1-(3-ethyl-2-pyridinyl)-N-propylpent-4-yn-1-amine has a molecular weight of 230.36 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-pyridinyl)-N-propylpent-4-yn-1-amine is sourced from PubChem (CID 82741096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).