1-(3-ethyl-2-pyridinyl)-N-propylheptan-1-amine

C17H30N2 — CID 82740601

IUPAC1-(3-ethyl-2-pyridinyl)-N-propylheptan-1-amine
SMILESCCCCCCC(NCCC)c1ncccc1CC
InChIInChI=1S/C17H30N2/c1-4-7-8-9-12-16(18-13-5-2)17-15(6-3)11-10-14-19-17/h10-11,14,16,18H,4-9,12-13H2,1-3H3
InChIKeyIVTCWWXKNNINMB-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.66
Rot. Bonds10

About 1-(3-ethyl-2-pyridinyl)-N-propylheptan-1-amine

1-(3-ethyl-2-pyridinyl)-N-propylheptan-1-amine (PubChem CID 82740601) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-(3-ethyl-2-pyridinyl)-N-propylheptan-1-amine.

Molecular Properties

Compound Name1-(3-ethyl-2-pyridinyl)-N-propylheptan-1-amine
PubChem CID82740601
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name1-(3-ethyl-2-pyridinyl)-N-propylheptan-1-amine
SMILESCCCCCCC(NCCC)c1ncccc1CC
InChIInChI=1S/C17H30N2/c1-4-7-8-9-12-16(18-13-5-2)17-15(6-3)11-10-14-19-17/h10-11,14,16,18H,4-9,12-13H2,1-3H3
InChIKeyIVTCWWXKNNINMB-UHFFFAOYSA-N
XLogP4.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.66
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

1-(3-ethyl-2-pyridinyl)-N-propylpent-4-yn-1-amine
CID 82741096
1-(3-ethyl-2-pyridinyl)-3-methylsulfonyl-N-propylpropan-1-amine
CID 82730810
1-(2-methyl-3-pyridinyl)-N-propylnonan-1-amine
CID 105128020
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
4-ethylsulfonyl-1-(3-methyl-2-pyridinyl)-N-propylbutan-1-amine
CID 65095907
1-(3-ethyl-2-pyridinyl)-2-methyl-N-propylpentan-1-amine
CID 114013829
1-(2-methoxy-3-pyridinyl)-N-propylheptan-1-amine
CID 105126504
N-[1-(3-ethyl-2-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 82740928
N-[1-(3-ethyl-2-pyridinyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107050759
1-(3-chloro-2-pyridinyl)-N-propylbutan-1-amine
CID 103444817

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-pyridinyl)-N-propylheptan-1-amine?
The IUPAC name of 1-(3-ethyl-2-pyridinyl)-N-propylheptan-1-amine (CID 82740601) is 1-(3-ethyl-2-pyridinyl)-N-propylheptan-1-amine.
What is the SMILES notation for 1-(3-ethyl-2-pyridinyl)-N-propylheptan-1-amine?
The canonical SMILES for 1-(3-ethyl-2-pyridinyl)-N-propylheptan-1-amine is CCCCCCC(NCCC)c1ncccc1CC.
What is the InChIKey of 1-(3-ethyl-2-pyridinyl)-N-propylheptan-1-amine?
The InChIKey is IVTCWWXKNNINMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-4-7-8-9-12-16(18-13-5-2)17-15(6-3)11-10-14-19-17/h10-11,14,16,18H,4-9,12-13H2,1-3H3.
What are the key properties of 1-(3-ethyl-2-pyridinyl)-N-propylheptan-1-amine?
1-(3-ethyl-2-pyridinyl)-N-propylheptan-1-amine has a molecular weight of 262.44 g/mol, XLogP of 4.66, 10 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-propylheptan-1-amine is sourced from PubChem (CID 82740601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).