1-(2-methyl-3-pyridinyl)tridecan-1-amine

C19H34N2 — CID 105138527

IUPAC1-(2-methyl-3-pyridinyl)tridecan-1-amine
SMILESCCCCCCCCCCCCC(N)c1cccnc1C
InChIInChI=1S/C19H34N2/c1-3-4-5-6-7-8-9-10-11-12-15-19(20)18-14-13-16-21-17(18)2/h13-14,16,19H,3-12,15,20H2,1-2H3
InChIKeyZWIXVRPPWHWQII-UHFFFAOYSA-N
MW290.49 g/mol
LogP5.70
Rot. Bonds12

About 1-(2-methyl-3-pyridinyl)tridecan-1-amine

1-(2-methyl-3-pyridinyl)tridecan-1-amine (PubChem CID 105138527) has the molecular formula C19H34N2 and a molecular weight of 290.49 g/mol. Its IUPAC name is 1-(2-methyl-3-pyridinyl)tridecan-1-amine.

Molecular Properties

Compound Name1-(2-methyl-3-pyridinyl)tridecan-1-amine
PubChem CID105138527
Molecular FormulaC19H34N2
Molecular Weight290.49 g/mol
Exact Mass290.27
IUPAC Name1-(2-methyl-3-pyridinyl)tridecan-1-amine
SMILESCCCCCCCCCCCCC(N)c1cccnc1C
InChIInChI=1S/C19H34N2/c1-3-4-5-6-7-8-9-10-11-12-15-19(20)18-14-13-16-21-17(18)2/h13-14,16,19H,3-12,15,20H2,1-2H3
InChIKeyZWIXVRPPWHWQII-UHFFFAOYSA-N
XLogP5.70
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.49
LogP ≤ 55.70
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

(1R)-1-(2-chloro-3-pyridinyl)hexan-1-amine
CID 171198991
(1S)-1-(2-chloro-3-pyridinyl)hexan-1-amine
CID 171218514
1-(2-methoxy-3-pyridinyl)octan-1-amine
CID 105124612
N-methyl-1-(2-methyl-3-pyridinyl)octan-1-amine
CID 105124578
1-quinolin-8-ylhexan-1-amine
CID 105021327
1-(2-methyl-3-pyridinyl)-N-propylnonan-1-amine
CID 105128020
1-(2-methylphenyl)nonan-1-amine
CID 63412316
1-(3-chloro-2-pyridinyl)tridecan-1-amine
CID 103443784
(1S)-1-(2-chloro-3-pyridinyl)pentan-1-amine;hydrochloride
CID 171218513
(2S)-2-amino-2-(2-methyl-3-pyridinyl)ethanol
CID 55263472
3-ethyl-1-(2-methyl-3-pyridinyl)pentan-1-amine
CID 105176719
1-(2,3-dimethylphenyl)dodecan-1-amine;hydrate
CID 173447782

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-3-pyridinyl)tridecan-1-amine?
The IUPAC name of 1-(2-methyl-3-pyridinyl)tridecan-1-amine (CID 105138527) is 1-(2-methyl-3-pyridinyl)tridecan-1-amine.
What is the SMILES notation for 1-(2-methyl-3-pyridinyl)tridecan-1-amine?
The canonical SMILES for 1-(2-methyl-3-pyridinyl)tridecan-1-amine is CCCCCCCCCCCCC(N)c1cccnc1C.
What is the InChIKey of 1-(2-methyl-3-pyridinyl)tridecan-1-amine?
The InChIKey is ZWIXVRPPWHWQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-3-4-5-6-7-8-9-10-11-12-15-19(20)18-14-13-16-21-17(18)2/h13-14,16,19H,3-12,15,20H2,1-2H3.
What are the key properties of 1-(2-methyl-3-pyridinyl)tridecan-1-amine?
1-(2-methyl-3-pyridinyl)tridecan-1-amine has a molecular weight of 290.49 g/mol, XLogP of 5.70, 12 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)tridecan-1-amine is sourced from PubChem (CID 105138527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).