1-N-(2-chloro-4-methyl-3-pyridinyl)cyclobutane-1,3-diamine

C10H14ClN3 — CID 80562273

IUPAC1-N-(2-chloro-4-methyl-3-pyridinyl)cyclobutane-1,3-diamine
SMILESCc1ccnc(Cl)c1NC1CC(N)C1
InChIInChI=1S/C10H14ClN3/c1-6-2-3-13-10(11)9(6)14-8-4-7(12)5-8/h2-3,7-8,14H,4-5,12H2,1H3
InChIKeyHWJTXRDPEJPFTC-UHFFFAOYSA-N
MW211.70 g/mol
LogP1.95
Rot. Bonds2

About 1-N-(2-chloro-4-methyl-3-pyridinyl)cyclobutane-1,3-diamine

1-N-(2-chloro-4-methyl-3-pyridinyl)cyclobutane-1,3-diamine (PubChem CID 80562273) has the molecular formula C10H14ClN3 and a molecular weight of 211.70 g/mol. Its IUPAC name is 1-N-(2-chloro-4-methyl-3-pyridinyl)cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-(2-chloro-4-methyl-3-pyridinyl)cyclobutane-1,3-diamine
PubChem CID80562273
Molecular FormulaC10H14ClN3
Molecular Weight211.70 g/mol
Exact Mass211.09
IUPAC Name1-N-(2-chloro-4-methyl-3-pyridinyl)cyclobutane-1,3-diamine
SMILESCc1ccnc(Cl)c1NC1CC(N)C1
InChIInChI=1S/C10H14ClN3/c1-6-2-3-13-10(11)9(6)14-8-4-7(12)5-8/h2-3,7-8,14H,4-5,12H2,1H3
InChIKeyHWJTXRDPEJPFTC-UHFFFAOYSA-N
XLogP1.95
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.70
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1-N-(2-chloro-4-methyl-3-pyridinyl)cyclobutane-1,3-diamine?
The IUPAC name of 1-N-(2-chloro-4-methyl-3-pyridinyl)cyclobutane-1,3-diamine (CID 80562273) is 1-N-(2-chloro-4-methyl-3-pyridinyl)cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-(2-chloro-4-methyl-3-pyridinyl)cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-(2-chloro-4-methyl-3-pyridinyl)cyclobutane-1,3-diamine is Cc1ccnc(Cl)c1NC1CC(N)C1.
What is the InChIKey of 1-N-(2-chloro-4-methyl-3-pyridinyl)cyclobutane-1,3-diamine?
The InChIKey is HWJTXRDPEJPFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3/c1-6-2-3-13-10(11)9(6)14-8-4-7(12)5-8/h2-3,7-8,14H,4-5,12H2,1H3.
What are the key properties of 1-N-(2-chloro-4-methyl-3-pyridinyl)cyclobutane-1,3-diamine?
1-N-(2-chloro-4-methyl-3-pyridinyl)cyclobutane-1,3-diamine has a molecular weight of 211.70 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-chloro-4-methyl-3-pyridinyl)cyclobutane-1,3-diamine is sourced from PubChem (CID 80562273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).