N-propyl-1-pyridin-3-ylnon-8-en-2-amine

C17H28N2 — CID 107009001

IUPACN-propyl-1-pyridin-3-ylnon-8-en-2-amine
SMILESC=CCCCCCC(Cc1cccnc1)NCCC
InChIInChI=1S/C17H28N2/c1-3-5-6-7-8-11-17(19-12-4-2)14-16-10-9-13-18-15-16/h3,9-10,13,15,17,19H,1,4-8,11-12,14H2,2H3
InChIKeyJAKHOYUYKVYHSG-UHFFFAOYSA-N
MW260.43 g/mol
LogP4.13
Rot. Bonds11

About N-propyl-1-pyridin-3-ylnon-8-en-2-amine

N-propyl-1-pyridin-3-ylnon-8-en-2-amine (PubChem CID 107009001) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-propyl-1-pyridin-3-ylnon-8-en-2-amine.

Molecular Properties

Compound NameN-propyl-1-pyridin-3-ylnon-8-en-2-amine
PubChem CID107009001
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-propyl-1-pyridin-3-ylnon-8-en-2-amine
SMILESC=CCCCCCC(Cc1cccnc1)NCCC
InChIInChI=1S/C17H28N2/c1-3-5-6-7-8-11-17(19-12-4-2)14-16-10-9-13-18-15-16/h3,9-10,13,15,17,19H,1,4-8,11-12,14H2,2H3
InChIKeyJAKHOYUYKVYHSG-UHFFFAOYSA-N
XLogP4.13
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 54.13
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-propyl-1-pyridin-3-yldecan-2-amine
CID 63416378
5,5,5-trifluoro-N-propyl-1-pyridin-3-ylpentan-2-amine
CID 64565788
N-propyl-1-pyridin-3-yl-4-pyridin-4-ylbutan-2-amine
CID 105179991
1-(3,4-difluorophenyl)-N-propylnon-8-en-2-amine
CID 107012123
N-methyl-1-pyridin-3-yldodecan-2-amine
CID 63416247
4-(2-methylphenyl)-N-propyl-1-pyridin-3-ylbutan-2-amine
CID 105180056
1-(4-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 62551911
N-ethyl-1-pyridin-3-ylpent-4-en-2-amine
CID 62551025
N-(pyridin-3-ylmethyl)oct-7-en-4-amine
CID 115704900
1-cycloheptyl-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 105034440
1-(3-bromophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 62552254
1-(2,6-difluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 114931955

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-pyridin-3-ylnon-8-en-2-amine?
The IUPAC name of N-propyl-1-pyridin-3-ylnon-8-en-2-amine (CID 107009001) is N-propyl-1-pyridin-3-ylnon-8-en-2-amine.
What is the SMILES notation for N-propyl-1-pyridin-3-ylnon-8-en-2-amine?
The canonical SMILES for N-propyl-1-pyridin-3-ylnon-8-en-2-amine is C=CCCCCCC(Cc1cccnc1)NCCC.
What is the InChIKey of N-propyl-1-pyridin-3-ylnon-8-en-2-amine?
The InChIKey is JAKHOYUYKVYHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-5-6-7-8-11-17(19-12-4-2)14-16-10-9-13-18-15-16/h3,9-10,13,15,17,19H,1,4-8,11-12,14H2,2H3.
What are the key properties of N-propyl-1-pyridin-3-ylnon-8-en-2-amine?
N-propyl-1-pyridin-3-ylnon-8-en-2-amine has a molecular weight of 260.43 g/mol, XLogP of 4.13, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-pyridin-3-ylnon-8-en-2-amine is sourced from PubChem (CID 107009001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).