N-methyl-1-pyridin-3-yldodecan-2-amine

C18H32N2 — CID 63416247

IUPACN-methyl-1-pyridin-3-yldodecan-2-amine
SMILESCCCCCCCCCCC(Cc1cccnc1)NC
InChIInChI=1S/C18H32N2/c1-3-4-5-6-7-8-9-10-13-18(19-2)15-17-12-11-14-20-16-17/h11-12,14,16,18-19H,3-10,13,15H2,1-2H3
InChIKeyLDNYJZQHFIRRRL-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.74
Rot. Bonds12

About N-methyl-1-pyridin-3-yldodecan-2-amine

N-methyl-1-pyridin-3-yldodecan-2-amine (PubChem CID 63416247) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N-methyl-1-pyridin-3-yldodecan-2-amine.

Molecular Properties

Compound NameN-methyl-1-pyridin-3-yldodecan-2-amine
PubChem CID63416247
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN-methyl-1-pyridin-3-yldodecan-2-amine
SMILESCCCCCCCCCCC(Cc1cccnc1)NC
InChIInChI=1S/C18H32N2/c1-3-4-5-6-7-8-9-10-13-18(19-2)15-17-12-11-14-20-16-17/h11-12,14,16,18-19H,3-10,13,15H2,1-2H3
InChIKeyLDNYJZQHFIRRRL-UHFFFAOYSA-N
XLogP4.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.74
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-propyl-1-pyridin-3-yldecan-2-amine
CID 63416378
N-methyl-5-phenyl-1-pyridin-3-ylpentan-2-amine
CID 62604554
N-methyl-1-pyridin-4-yldecan-2-amine
CID 62605644
3-(2-hexyloctyl)pyridine
CID 167277838
N-methyl-1-pyridin-3-ylbutan-2-amine
CID 62552734
N-methyl-1-phenyldecan-2-amine
CID 63412341
1-pyridin-3-ylundecan-2-amine
CID 62603230
N,4-dimethyl-1-pyridin-3-ylheptan-2-amine
CID 62604003
4-methoxy-N-methyl-1-pyridin-3-ylbutan-2-amine
CID 115601894
N-ethyl-1-pyridin-3-yldecan-3-amine
CID 105125052
1-pyridin-3-ylnonan-3-ylhydrazine
CID 105294051
N-methyl-4-methylsulfonyl-1-pyridin-3-ylbutan-2-amine
CID 62604364

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-pyridin-3-yldodecan-2-amine?
The IUPAC name of N-methyl-1-pyridin-3-yldodecan-2-amine (CID 63416247) is N-methyl-1-pyridin-3-yldodecan-2-amine.
What is the SMILES notation for N-methyl-1-pyridin-3-yldodecan-2-amine?
The canonical SMILES for N-methyl-1-pyridin-3-yldodecan-2-amine is CCCCCCCCCCC(Cc1cccnc1)NC.
What is the InChIKey of N-methyl-1-pyridin-3-yldodecan-2-amine?
The InChIKey is LDNYJZQHFIRRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-3-4-5-6-7-8-9-10-13-18(19-2)15-17-12-11-14-20-16-17/h11-12,14,16,18-19H,3-10,13,15H2,1-2H3.
What are the key properties of N-methyl-1-pyridin-3-yldodecan-2-amine?
N-methyl-1-pyridin-3-yldodecan-2-amine has a molecular weight of 276.47 g/mol, XLogP of 4.74, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-pyridin-3-yldodecan-2-amine is sourced from PubChem (CID 63416247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).