N'-[(4-ethenyl-2-pyridinyl)methyl]-N-methylpropane-1,3-diamine

C12H19N3 — CID 144690137

IUPACN'-[(4-ethenyl-2-pyridinyl)methyl]-N-methylpropane-1,3-diamine
SMILESC=Cc1ccnc(CNCCCNC)c1
InChIInChI=1S/C12H19N3/c1-3-11-5-8-15-12(9-11)10-14-7-4-6-13-2/h3,5,8-9,13-14H,1,4,6-7,10H2,2H3
InChIKeyFRBDCBDZUXADGW-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.42
Rot. Bonds7

About N'-[(4-ethenyl-2-pyridinyl)methyl]-N-methylpropane-1,3-diamine

N'-[(4-ethenyl-2-pyridinyl)methyl]-N-methylpropane-1,3-diamine (PubChem CID 144690137) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is N'-[(4-ethenyl-2-pyridinyl)methyl]-N-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(4-ethenyl-2-pyridinyl)methyl]-N-methylpropane-1,3-diamine
PubChem CID144690137
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC NameN'-[(4-ethenyl-2-pyridinyl)methyl]-N-methylpropane-1,3-diamine
SMILESC=Cc1ccnc(CNCCCNC)c1
InChIInChI=1S/C12H19N3/c1-3-11-5-8-15-12(9-11)10-14-7-4-6-13-2/h3,5,8-9,13-14H,1,4,6-7,10H2,2H3
InChIKeyFRBDCBDZUXADGW-UHFFFAOYSA-N
XLogP1.42
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-ethenyl-2-pyridinyl)methanamine
CID 74892276
2-(4-ethenyl-2-pyridinyl)ethanamine
CID 74892292
N-(2,2-dimethylpropyl)-2-[(4-ethenyl-2-pyridinyl)methylamino]-N-ethylacetamide;ethane
CID 144690114
N-methyl-N'-[[5-[[3-[[3-[[3-(pyridin-2-ylmethylamino)propylamino]methyl]phenyl]methylamino]propylamino]methyl]oxolan-2-yl]methyl]propane-1,3-diamine
CID 154555606
N-[[4-(aminomethyl)-2-pyridinyl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 78426250
N-methyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine
CID 21021493
1-[(4-ethenyl-2-pyridinyl)methylsulfanyl]propan-2-one
CID 89062588
N'-[(3-bromo-2-pyridinyl)methyl]-N-methylpropane-1,3-diamine
CID 107517396
N-[(4-prop-2-enoxy-2-pyridinyl)methyl]ethanamine
CID 62288081
N-[(4-methoxy-2-pyridinyl)methyl]propan-1-amine
CID 62291375
N-methyl-N'-[4-[[4-[[4-[4-(methylamino)butylamino]butylamino]methyl]phenyl]methylamino]butyl]butane-1,4-diamine
CID 71765356
1-[(4-methanimidoyl-2-pyridinyl)methylamino]propan-2-one
CID 144690147

Frequently Asked Questions

What is the IUPAC name of N'-[(4-ethenyl-2-pyridinyl)methyl]-N-methylpropane-1,3-diamine?
The IUPAC name of N'-[(4-ethenyl-2-pyridinyl)methyl]-N-methylpropane-1,3-diamine (CID 144690137) is N'-[(4-ethenyl-2-pyridinyl)methyl]-N-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[(4-ethenyl-2-pyridinyl)methyl]-N-methylpropane-1,3-diamine?
The canonical SMILES for N'-[(4-ethenyl-2-pyridinyl)methyl]-N-methylpropane-1,3-diamine is C=Cc1ccnc(CNCCCNC)c1.
What is the InChIKey of N'-[(4-ethenyl-2-pyridinyl)methyl]-N-methylpropane-1,3-diamine?
The InChIKey is FRBDCBDZUXADGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-3-11-5-8-15-12(9-11)10-14-7-4-6-13-2/h3,5,8-9,13-14H,1,4,6-7,10H2,2H3.
What are the key properties of N'-[(4-ethenyl-2-pyridinyl)methyl]-N-methylpropane-1,3-diamine?
N'-[(4-ethenyl-2-pyridinyl)methyl]-N-methylpropane-1,3-diamine has a molecular weight of 205.31 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-ethenyl-2-pyridinyl)methyl]-N-methylpropane-1,3-diamine is sourced from PubChem (CID 144690137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).