6-chloro-N-(cyclopropylmethyl)-N-propylpyridin-2-amine

C12H17ClN2 — CID 63587069

IUPAC6-chloro-N-(cyclopropylmethyl)-N-propylpyridin-2-amine
SMILESCCCN(CC1CC1)c1cccc(Cl)n1
InChIInChI=1S/C12H17ClN2/c1-2-8-15(9-10-6-7-10)12-5-3-4-11(13)14-12/h3-5,10H,2,6-9H2,1H3
InChIKeyRXBMRYBDWCRIFG-UHFFFAOYSA-N
MW224.73 g/mol
LogP3.36
Rot. Bonds5

About 6-chloro-N-(cyclopropylmethyl)-N-propylpyridin-2-amine

6-chloro-N-(cyclopropylmethyl)-N-propylpyridin-2-amine (PubChem CID 63587069) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 6-chloro-N-(cyclopropylmethyl)-N-propylpyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(cyclopropylmethyl)-N-propylpyridin-2-amine
PubChem CID63587069
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name6-chloro-N-(cyclopropylmethyl)-N-propylpyridin-2-amine
SMILESCCCN(CC1CC1)c1cccc(Cl)n1
InChIInChI=1S/C12H17ClN2/c1-2-8-15(9-10-6-7-10)12-5-3-4-11(13)14-12/h3-5,10H,2,6-9H2,1H3
InChIKeyRXBMRYBDWCRIFG-UHFFFAOYSA-N
XLogP3.36
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-N-(cyclopropylmethyl)-6-N-propylpyridine-2,6-diamine
CID 80647313
6-[cyclopropylmethyl(propyl)amino]pyridine-2-carboxylic acid
CID 2415269
6-(6-chloro-2-pyridinyl)-N,N-dipropylpyridin-2-amine
CID 10684888
6-chloro-4-N-(cyclopropylmethyl)-4-N-propylpyrimidine-2,4-diamine
CID 80735508
3-chloro-N-(cyclopropylmethyl)-N-propylaniline
CID 91053808
6-chloro-N-(cyclohexylmethyl)-N-methylpyridin-2-amine
CID 63587269
5-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyrazin-2-amine
CID 107373395
6-chloro-N-propan-2-yl-N-propylpyridin-2-amine
CID 63588596
2-chloro-N-(cyclopropylmethyl)-N-propylquinazolin-4-amine
CID 55081167
5-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyridin-2-amine
CID 61445168
6-N-(cyclopropylmethyl)-6-N-ethyl-2-N-propylpyridine-2,6-diamine
CID 80838817
2-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-propylaniline
CID 61445051

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(cyclopropylmethyl)-N-propylpyridin-2-amine?
The IUPAC name of 6-chloro-N-(cyclopropylmethyl)-N-propylpyridin-2-amine (CID 63587069) is 6-chloro-N-(cyclopropylmethyl)-N-propylpyridin-2-amine.
What is the SMILES notation for 6-chloro-N-(cyclopropylmethyl)-N-propylpyridin-2-amine?
The canonical SMILES for 6-chloro-N-(cyclopropylmethyl)-N-propylpyridin-2-amine is CCCN(CC1CC1)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-(cyclopropylmethyl)-N-propylpyridin-2-amine?
The InChIKey is RXBMRYBDWCRIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-2-8-15(9-10-6-7-10)12-5-3-4-11(13)14-12/h3-5,10H,2,6-9H2,1H3.
What are the key properties of 6-chloro-N-(cyclopropylmethyl)-N-propylpyridin-2-amine?
6-chloro-N-(cyclopropylmethyl)-N-propylpyridin-2-amine has a molecular weight of 224.73 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(cyclopropylmethyl)-N-propylpyridin-2-amine is sourced from PubChem (CID 63587069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).