1-(2-methyl-3-pyridinyl)-N-propylnonan-1-amine

C18H32N2 — CID 105128020

IUPAC1-(2-methyl-3-pyridinyl)-N-propylnonan-1-amine
SMILESCCCCCCCCC(NCCC)c1cccnc1C
InChIInChI=1S/C18H32N2/c1-4-6-7-8-9-10-13-18(20-14-5-2)17-12-11-15-19-16(17)3/h11-12,15,18,20H,4-10,13-14H2,1-3H3
InChIKeyQWUURRDMEPADAJ-UHFFFAOYSA-N
MW276.47 g/mol
LogP5.18
Rot. Bonds11

About 1-(2-methyl-3-pyridinyl)-N-propylnonan-1-amine

1-(2-methyl-3-pyridinyl)-N-propylnonan-1-amine (PubChem CID 105128020) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 1-(2-methyl-3-pyridinyl)-N-propylnonan-1-amine.

Molecular Properties

Compound Name1-(2-methyl-3-pyridinyl)-N-propylnonan-1-amine
PubChem CID105128020
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name1-(2-methyl-3-pyridinyl)-N-propylnonan-1-amine
SMILESCCCCCCCCC(NCCC)c1cccnc1C
InChIInChI=1S/C18H32N2/c1-4-6-7-8-9-10-13-18(20-14-5-2)17-12-11-15-19-16(17)3/h11-12,15,18,20H,4-10,13-14H2,1-3H3
InChIKeyQWUURRDMEPADAJ-UHFFFAOYSA-N
XLogP5.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.47
LogP ≤ 55.18
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

N-methyl-1-(2-methyl-3-pyridinyl)octan-1-amine
CID 105124578
1-(2-methoxy-3-pyridinyl)-N-propylheptan-1-amine
CID 105126504
1-(3-ethyl-2-pyridinyl)-N-propylheptan-1-amine
CID 82740601
1-(2-methyl-3-pyridinyl)tridecan-1-amine
CID 105138527
1-(2-fluoro-3-methylphenyl)-N-propyloctan-1-amine
CID 115832334
N-[2-ethoxy-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105165101
N-propyl-1-quinoxalin-5-ylhexan-1-amine
CID 105129498
1-(2-iodophenyl)-N-propylheptan-1-amine
CID 115833162
1-(2-bromo-3-methylphenyl)-N-propylhexan-1-amine
CID 114024195
1-(2,3-dichlorophenyl)-N-propylnonan-1-amine
CID 115835415
1-(2,3-difluorophenyl)-N-propylnonan-1-amine
CID 115835811
1-(4-methyl-2-pyridinyl)-N-propyldecan-1-amine
CID 63840406

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-3-pyridinyl)-N-propylnonan-1-amine?
The IUPAC name of 1-(2-methyl-3-pyridinyl)-N-propylnonan-1-amine (CID 105128020) is 1-(2-methyl-3-pyridinyl)-N-propylnonan-1-amine.
What is the SMILES notation for 1-(2-methyl-3-pyridinyl)-N-propylnonan-1-amine?
The canonical SMILES for 1-(2-methyl-3-pyridinyl)-N-propylnonan-1-amine is CCCCCCCCC(NCCC)c1cccnc1C.
What is the InChIKey of 1-(2-methyl-3-pyridinyl)-N-propylnonan-1-amine?
The InChIKey is QWUURRDMEPADAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-4-6-7-8-9-10-13-18(20-14-5-2)17-12-11-15-19-16(17)3/h11-12,15,18,20H,4-10,13-14H2,1-3H3.
What are the key properties of 1-(2-methyl-3-pyridinyl)-N-propylnonan-1-amine?
1-(2-methyl-3-pyridinyl)-N-propylnonan-1-amine has a molecular weight of 276.47 g/mol, XLogP of 5.18, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3-pyridinyl)-N-propylnonan-1-amine is sourced from PubChem (CID 105128020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).