5-chloro-4-[(cyclopropylamino)methyl]-N-prop-2-enyl-N-propylpyridin-2-amine

C15H22ClN3 — CID 114926899

IUPAC5-chloro-4-[(cyclopropylamino)methyl]-N-prop-2-enyl-N-propylpyridin-2-amine
SMILESC=CCN(CCC)c1cc(CNC2CC2)c(Cl)cn1
InChIInChI=1S/C15H22ClN3/c1-3-7-19(8-4-2)15-9-12(14(16)11-18-15)10-17-13-5-6-13/h3,9,11,13,17H,1,4-8,10H2,2H3
InChIKeyGOWAPTSDHWNMEQ-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.39
Rot. Bonds8

About 5-chloro-4-[(cyclopropylamino)methyl]-N-prop-2-enyl-N-propylpyridin-2-amine

5-chloro-4-[(cyclopropylamino)methyl]-N-prop-2-enyl-N-propylpyridin-2-amine (PubChem CID 114926899) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is 5-chloro-4-[(cyclopropylamino)methyl]-N-prop-2-enyl-N-propylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-4-[(cyclopropylamino)methyl]-N-prop-2-enyl-N-propylpyridin-2-amine
PubChem CID114926899
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC Name5-chloro-4-[(cyclopropylamino)methyl]-N-prop-2-enyl-N-propylpyridin-2-amine
SMILESC=CCN(CCC)c1cc(CNC2CC2)c(Cl)cn1
InChIInChI=1S/C15H22ClN3/c1-3-7-19(8-4-2)15-9-12(14(16)11-18-15)10-17-13-5-6-13/h3,9,11,13,17H,1,4-8,10H2,2H3
InChIKeyGOWAPTSDHWNMEQ-UHFFFAOYSA-N
XLogP3.39
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[5-chloro-4-[(propan-2-ylamino)methyl]-2-pyridinyl]-prop-2-enylamino]ethanol
CID 114927139
5-chloro-N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine
CID 107401902
5-chloro-N-ethyl-4-(ethylaminomethyl)-N-prop-2-enylpyridin-2-amine
CID 114926894
5-chloro-N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine
CID 114925442
5-chloro-N-(cyclopropylmethyl)-4-(ethylaminomethyl)-N-propylpyridin-2-amine
CID 114925867
5-chloro-N-cyclopropyl-N-prop-2-enyl-4-(propylaminomethyl)pyridin-2-amine
CID 114926916
5-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 114925468
5-chloro-N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)pyridin-2-amine
CID 114925957
[2-[bis(prop-2-enyl)amino]-5-chloro-4-pyridinyl]methanol
CID 114920172
5-chloro-N-(cyclopentylmethyl)-4-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
CID 114926476
5-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine
CID 114926757
2-N-[5-chloro-4-[(cyclopropylamino)methyl]-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191574

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(cyclopropylamino)methyl]-N-prop-2-enyl-N-propylpyridin-2-amine?
The IUPAC name of 5-chloro-4-[(cyclopropylamino)methyl]-N-prop-2-enyl-N-propylpyridin-2-amine (CID 114926899) is 5-chloro-4-[(cyclopropylamino)methyl]-N-prop-2-enyl-N-propylpyridin-2-amine.
What is the SMILES notation for 5-chloro-4-[(cyclopropylamino)methyl]-N-prop-2-enyl-N-propylpyridin-2-amine?
The canonical SMILES for 5-chloro-4-[(cyclopropylamino)methyl]-N-prop-2-enyl-N-propylpyridin-2-amine is C=CCN(CCC)c1cc(CNC2CC2)c(Cl)cn1.
What is the InChIKey of 5-chloro-4-[(cyclopropylamino)methyl]-N-prop-2-enyl-N-propylpyridin-2-amine?
The InChIKey is GOWAPTSDHWNMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c1-3-7-19(8-4-2)15-9-12(14(16)11-18-15)10-17-13-5-6-13/h3,9,11,13,17H,1,4-8,10H2,2H3.
What are the key properties of 5-chloro-4-[(cyclopropylamino)methyl]-N-prop-2-enyl-N-propylpyridin-2-amine?
5-chloro-4-[(cyclopropylamino)methyl]-N-prop-2-enyl-N-propylpyridin-2-amine has a molecular weight of 279.81 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(cyclopropylamino)methyl]-N-prop-2-enyl-N-propylpyridin-2-amine is sourced from PubChem (CID 114926899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).