N-propyl-1-pyridin-2-yloct-7-en-1-amine

C16H26N2 — CID 107008851

IUPACN-propyl-1-pyridin-2-yloct-7-en-1-amine
SMILESC=CCCCCCC(NCCC)c1ccccn1
InChIInChI=1S/C16H26N2/c1-3-5-6-7-8-11-15(17-13-4-2)16-12-9-10-14-18-16/h3,9-10,12,14-15,17H,1,4-8,11,13H2,2H3
InChIKeyKJWIJBZATCFZHB-UHFFFAOYSA-N
MW246.40 g/mol
LogP4.26
Rot. Bonds10

About N-propyl-1-pyridin-2-yloct-7-en-1-amine

N-propyl-1-pyridin-2-yloct-7-en-1-amine (PubChem CID 107008851) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-propyl-1-pyridin-2-yloct-7-en-1-amine.

Molecular Properties

Compound NameN-propyl-1-pyridin-2-yloct-7-en-1-amine
PubChem CID107008851
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-propyl-1-pyridin-2-yloct-7-en-1-amine
SMILESC=CCCCCCC(NCCC)c1ccccn1
InChIInChI=1S/C16H26N2/c1-3-5-6-7-8-11-15(17-13-4-2)16-12-9-10-14-18-16/h3,9-10,12,14-15,17H,1,4-8,11,13H2,2H3
InChIKeyKJWIJBZATCFZHB-UHFFFAOYSA-N
XLogP4.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 54.26
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-ethyl-1-pyridin-2-ylnonan-1-amine
CID 62600129
4-ethylsulfonyl-N-propyl-1-pyridin-2-ylbutan-1-amine
CID 65095498
1-(1-methylimidazol-4-yl)-N-propyloct-7-en-1-amine
CID 114023315
1-(2-bromophenyl)-N-propyloct-7-en-1-amine
CID 107008962
N-ethyl-1-pyridin-2-ylhexan-1-amine
CID 62600130
1-pyridin-2-yloct-7-en-1-amine
CID 107008819
1-(1-methylimidazol-2-yl)-N-propyloct-7-en-1-amine
CID 107009559
(E)-N-(1-pyridin-2-ylbutyl)pent-3-en-1-amine
CID 115890101
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
1-pyridin-2-yloctylhydrazine
CID 105195796
3-methyl-N-(1-pyridin-2-ylbutyl)butan-1-amine
CID 115872088

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-pyridin-2-yloct-7-en-1-amine?
The IUPAC name of N-propyl-1-pyridin-2-yloct-7-en-1-amine (CID 107008851) is N-propyl-1-pyridin-2-yloct-7-en-1-amine.
What is the SMILES notation for N-propyl-1-pyridin-2-yloct-7-en-1-amine?
The canonical SMILES for N-propyl-1-pyridin-2-yloct-7-en-1-amine is C=CCCCCCC(NCCC)c1ccccn1.
What is the InChIKey of N-propyl-1-pyridin-2-yloct-7-en-1-amine?
The InChIKey is KJWIJBZATCFZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-5-6-7-8-11-15(17-13-4-2)16-12-9-10-14-18-16/h3,9-10,12,14-15,17H,1,4-8,11,13H2,2H3.
What are the key properties of N-propyl-1-pyridin-2-yloct-7-en-1-amine?
N-propyl-1-pyridin-2-yloct-7-en-1-amine has a molecular weight of 246.40 g/mol, XLogP of 4.26, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-pyridin-2-yloct-7-en-1-amine is sourced from PubChem (CID 107008851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).