1-(5-methyl-3-pyridinyl)dodecan-1-amine

C18H32N2 — CID 105022916

IUPAC1-(5-methyl-3-pyridinyl)dodecan-1-amine
SMILESCCCCCCCCCCCC(N)c1cncc(C)c1
InChIInChI=1S/C18H32N2/c1-3-4-5-6-7-8-9-10-11-12-18(19)17-13-16(2)14-20-15-17/h13-15,18H,3-12,19H2,1-2H3
InChIKeyCFMTUGOEIVMHMB-UHFFFAOYSA-N
MW276.47 g/mol
LogP5.31
Rot. Bonds11

About 1-(5-methyl-3-pyridinyl)dodecan-1-amine

1-(5-methyl-3-pyridinyl)dodecan-1-amine (PubChem CID 105022916) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 1-(5-methyl-3-pyridinyl)dodecan-1-amine.

Molecular Properties

Compound Name1-(5-methyl-3-pyridinyl)dodecan-1-amine
PubChem CID105022916
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name1-(5-methyl-3-pyridinyl)dodecan-1-amine
SMILESCCCCCCCCCCCC(N)c1cncc(C)c1
InChIInChI=1S/C18H32N2/c1-3-4-5-6-7-8-9-10-11-12-18(19)17-13-16(2)14-20-15-17/h13-15,18H,3-12,19H2,1-2H3
InChIKeyCFMTUGOEIVMHMB-UHFFFAOYSA-N
XLogP5.31
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.47
LogP ≤ 55.31
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-(5-methyl-3-pyridinyl)hexan-1-amine
CID 105023199
N-methyl-1-(5-methyl-3-pyridinyl)dodecan-1-amine
CID 105023057
1-(5-methyl-3-pyridinyl)-3-propoxypropan-1-amine
CID 105173870
(1R)-1-(3,5-dimethylphenyl)hexan-1-amine
CID 171202167
2-ethyl-1-(5-methyl-3-pyridinyl)hexan-1-amine
CID 105022799
1-(5-methyl-3-pyridinyl)hex-5-yn-1-amine
CID 105179674
1-(5-methyl-3-pyridinyl)pentylhydrazine
CID 105245659
1-pyridin-4-ylnonan-1-amine
CID 62600271
1-(3-chloro-5-methylphenyl)decan-1-amine
CID 115831880
(1S)-1-pyridin-3-ylhexan-1-amine
CID 94506966
1-(3-chloro-5-methylphenyl)nonan-1-amine
CID 115835851
3-heptan-4-yl-5-methylpyridine
CID 134266506

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-3-pyridinyl)dodecan-1-amine?
The IUPAC name of 1-(5-methyl-3-pyridinyl)dodecan-1-amine (CID 105022916) is 1-(5-methyl-3-pyridinyl)dodecan-1-amine.
What is the SMILES notation for 1-(5-methyl-3-pyridinyl)dodecan-1-amine?
The canonical SMILES for 1-(5-methyl-3-pyridinyl)dodecan-1-amine is CCCCCCCCCCCC(N)c1cncc(C)c1.
What is the InChIKey of 1-(5-methyl-3-pyridinyl)dodecan-1-amine?
The InChIKey is CFMTUGOEIVMHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-3-4-5-6-7-8-9-10-11-12-18(19)17-13-16(2)14-20-15-17/h13-15,18H,3-12,19H2,1-2H3.
What are the key properties of 1-(5-methyl-3-pyridinyl)dodecan-1-amine?
1-(5-methyl-3-pyridinyl)dodecan-1-amine has a molecular weight of 276.47 g/mol, XLogP of 5.31, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-3-pyridinyl)dodecan-1-amine is sourced from PubChem (CID 105022916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).