2-chloro-N-cyclododecyl-4-methylpyridin-3-amine

C18H29ClN2 — CID 65485507

IUPAC2-chloro-N-cyclododecyl-4-methylpyridin-3-amine
SMILESCc1ccnc(Cl)c1NC1CCCCCCCCCCC1
InChIInChI=1S/C18H29ClN2/c1-15-13-14-20-18(19)17(15)21-16-11-9-7-5-3-2-4-6-8-10-12-16/h13-14,16,21H,2-12H2,1H3
InChIKeyKGQSJYGAIPVWNF-UHFFFAOYSA-N
MW308.90 g/mol
LogP6.13
Rot. Bonds2

About 2-chloro-N-cyclododecyl-4-methylpyridin-3-amine

2-chloro-N-cyclododecyl-4-methylpyridin-3-amine (PubChem CID 65485507) has the molecular formula C18H29ClN2 and a molecular weight of 308.90 g/mol. Its IUPAC name is 2-chloro-N-cyclododecyl-4-methylpyridin-3-amine.

Molecular Properties

Compound Name2-chloro-N-cyclododecyl-4-methylpyridin-3-amine
PubChem CID65485507
Molecular FormulaC18H29ClN2
Molecular Weight308.90 g/mol
Exact Mass308.20
IUPAC Name2-chloro-N-cyclododecyl-4-methylpyridin-3-amine
SMILESCc1ccnc(Cl)c1NC1CCCCCCCCCCC1
InChIInChI=1S/C18H29ClN2/c1-15-13-14-20-18(19)17(15)21-16-11-9-7-5-3-2-4-6-8-10-12-16/h13-14,16,21H,2-12H2,1H3
InChIKeyKGQSJYGAIPVWNF-UHFFFAOYSA-N
XLogP6.13
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.90
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclododecyl-4-methylpyridin-3-amine?
The IUPAC name of 2-chloro-N-cyclododecyl-4-methylpyridin-3-amine (CID 65485507) is 2-chloro-N-cyclododecyl-4-methylpyridin-3-amine.
What is the SMILES notation for 2-chloro-N-cyclododecyl-4-methylpyridin-3-amine?
The canonical SMILES for 2-chloro-N-cyclododecyl-4-methylpyridin-3-amine is Cc1ccnc(Cl)c1NC1CCCCCCCCCCC1.
What is the InChIKey of 2-chloro-N-cyclododecyl-4-methylpyridin-3-amine?
The InChIKey is KGQSJYGAIPVWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2/c1-15-13-14-20-18(19)17(15)21-16-11-9-7-5-3-2-4-6-8-10-12-16/h13-14,16,21H,2-12H2,1H3.
What are the key properties of 2-chloro-N-cyclododecyl-4-methylpyridin-3-amine?
2-chloro-N-cyclododecyl-4-methylpyridin-3-amine has a molecular weight of 308.90 g/mol, XLogP of 6.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclododecyl-4-methylpyridin-3-amine is sourced from PubChem (CID 65485507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).