2-chloro-4-methyl-N-(4-propylcycloheptyl)pyridin-3-amine

C16H25ClN2 — CID 65485314

IUPAC2-chloro-4-methyl-N-(4-propylcycloheptyl)pyridin-3-amine
SMILESCCCC1CCCC(Nc2c(C)ccnc2Cl)CC1
InChIInChI=1S/C16H25ClN2/c1-3-5-13-6-4-7-14(9-8-13)19-15-12(2)10-11-18-16(15)17/h10-11,13-14,19H,3-9H2,1-2H3
InChIKeyCMRJHZCPHGCLFU-UHFFFAOYSA-N
MW280.84 g/mol
LogP5.20
Rot. Bonds4

About 2-chloro-4-methyl-N-(4-propylcycloheptyl)pyridin-3-amine

2-chloro-4-methyl-N-(4-propylcycloheptyl)pyridin-3-amine (PubChem CID 65485314) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-(4-propylcycloheptyl)pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-4-methyl-N-(4-propylcycloheptyl)pyridin-3-amine
PubChem CID65485314
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name2-chloro-4-methyl-N-(4-propylcycloheptyl)pyridin-3-amine
SMILESCCCC1CCCC(Nc2c(C)ccnc2Cl)CC1
InChIInChI=1S/C16H25ClN2/c1-3-5-13-6-4-7-14(9-8-13)19-15-12(2)10-11-18-16(15)17/h10-11,13-14,19H,3-9H2,1-2H3
InChIKeyCMRJHZCPHGCLFU-UHFFFAOYSA-N
XLogP5.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.84
LogP ≤ 55.20
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-4-methyl-N-(4-propylcycloheptyl)pyridin-3-amine?
The IUPAC name of 2-chloro-4-methyl-N-(4-propylcycloheptyl)pyridin-3-amine (CID 65485314) is 2-chloro-4-methyl-N-(4-propylcycloheptyl)pyridin-3-amine.
What is the SMILES notation for 2-chloro-4-methyl-N-(4-propylcycloheptyl)pyridin-3-amine?
The canonical SMILES for 2-chloro-4-methyl-N-(4-propylcycloheptyl)pyridin-3-amine is CCCC1CCCC(Nc2c(C)ccnc2Cl)CC1.
What is the InChIKey of 2-chloro-4-methyl-N-(4-propylcycloheptyl)pyridin-3-amine?
The InChIKey is CMRJHZCPHGCLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-3-5-13-6-4-7-14(9-8-13)19-15-12(2)10-11-18-16(15)17/h10-11,13-14,19H,3-9H2,1-2H3.
What are the key properties of 2-chloro-4-methyl-N-(4-propylcycloheptyl)pyridin-3-amine?
2-chloro-4-methyl-N-(4-propylcycloheptyl)pyridin-3-amine has a molecular weight of 280.84 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-(4-propylcycloheptyl)pyridin-3-amine is sourced from PubChem (CID 65485314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).