3-chloro-N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-propan-2-ylpyridin-2-amine

C14H22ClN3 — CID 55059331

IUPAC3-chloro-N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-propan-2-ylpyridin-2-amine
SMILESCNCc1cnc(N(CC2CC2)C(C)C)c(Cl)c1
InChIInChI=1S/C14H22ClN3/c1-10(2)18(9-11-4-5-11)14-13(15)6-12(7-16-3)8-17-14/h6,8,10-11,16H,4-5,7,9H2,1-3H3
InChIKeyHDIPBFGYCKCNLW-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.08
Rot. Bonds6

About 3-chloro-N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-propan-2-ylpyridin-2-amine

3-chloro-N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-propan-2-ylpyridin-2-amine (PubChem CID 55059331) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is 3-chloro-N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-propan-2-ylpyridin-2-amine
PubChem CID55059331
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC Name3-chloro-N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-propan-2-ylpyridin-2-amine
SMILESCNCc1cnc(N(CC2CC2)C(C)C)c(Cl)c1
InChIInChI=1S/C14H22ClN3/c1-10(2)18(9-11-4-5-11)14-13(15)6-12(7-16-3)8-17-14/h6,8,10-11,16H,4-5,7,9H2,1-3H3
InChIKeyHDIPBFGYCKCNLW-UHFFFAOYSA-N
XLogP3.08
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-propan-2-ylpyridin-2-amine?
The IUPAC name of 3-chloro-N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-propan-2-ylpyridin-2-amine (CID 55059331) is 3-chloro-N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 3-chloro-N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for 3-chloro-N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-propan-2-ylpyridin-2-amine is CNCc1cnc(N(CC2CC2)C(C)C)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-propan-2-ylpyridin-2-amine?
The InChIKey is HDIPBFGYCKCNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-10(2)18(9-11-4-5-11)14-13(15)6-12(7-16-3)8-17-14/h6,8,10-11,16H,4-5,7,9H2,1-3H3.
What are the key properties of 3-chloro-N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-propan-2-ylpyridin-2-amine?
3-chloro-N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-propan-2-ylpyridin-2-amine has a molecular weight of 267.80 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 55059331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).