1-N-(3-chloro-4-pyridinyl)-1-N-methylcyclobutane-1,3-diamine

C10H14ClN3 — CID 131160781

IUPAC1-N-(3-chloro-4-pyridinyl)-1-N-methylcyclobutane-1,3-diamine
SMILESCN(c1ccncc1Cl)C1CC(N)C1
InChIInChI=1S/C10H14ClN3/c1-14(8-4-7(12)5-8)10-2-3-13-6-9(10)11/h2-3,6-8H,4-5,12H2,1H3
InChIKeyGDAASTQKEGTEDN-UHFFFAOYSA-N
MW211.70 g/mol
LogP1.66
Rot. Bonds2

About 1-N-(3-chloro-4-pyridinyl)-1-N-methylcyclobutane-1,3-diamine

1-N-(3-chloro-4-pyridinyl)-1-N-methylcyclobutane-1,3-diamine (PubChem CID 131160781) has the molecular formula C10H14ClN3 and a molecular weight of 211.70 g/mol. Its IUPAC name is 1-N-(3-chloro-4-pyridinyl)-1-N-methylcyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-(3-chloro-4-pyridinyl)-1-N-methylcyclobutane-1,3-diamine
PubChem CID131160781
Molecular FormulaC10H14ClN3
Molecular Weight211.70 g/mol
Exact Mass211.09
IUPAC Name1-N-(3-chloro-4-pyridinyl)-1-N-methylcyclobutane-1,3-diamine
SMILESCN(c1ccncc1Cl)C1CC(N)C1
InChIInChI=1S/C10H14ClN3/c1-14(8-4-7(12)5-8)10-2-3-13-6-9(10)11/h2-3,6-8H,4-5,12H2,1H3
InChIKeyGDAASTQKEGTEDN-UHFFFAOYSA-N
XLogP1.66
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.70
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-(3-chloro-4-pyridinyl)-1-N-methylcyclobutane-1,3-diamine?
The IUPAC name of 1-N-(3-chloro-4-pyridinyl)-1-N-methylcyclobutane-1,3-diamine (CID 131160781) is 1-N-(3-chloro-4-pyridinyl)-1-N-methylcyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-(3-chloro-4-pyridinyl)-1-N-methylcyclobutane-1,3-diamine?
The canonical SMILES for 1-N-(3-chloro-4-pyridinyl)-1-N-methylcyclobutane-1,3-diamine is CN(c1ccncc1Cl)C1CC(N)C1.
What is the InChIKey of 1-N-(3-chloro-4-pyridinyl)-1-N-methylcyclobutane-1,3-diamine?
The InChIKey is GDAASTQKEGTEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3/c1-14(8-4-7(12)5-8)10-2-3-13-6-9(10)11/h2-3,6-8H,4-5,12H2,1H3.
What are the key properties of 1-N-(3-chloro-4-pyridinyl)-1-N-methylcyclobutane-1,3-diamine?
1-N-(3-chloro-4-pyridinyl)-1-N-methylcyclobutane-1,3-diamine has a molecular weight of 211.70 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-chloro-4-pyridinyl)-1-N-methylcyclobutane-1,3-diamine is sourced from PubChem (CID 131160781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).