6-(aminomethyl)-5-chloro-N,N-bis(prop-2-enyl)pyridin-2-amine

C12H16ClN3 — CID 62299092

IUPAC6-(aminomethyl)-5-chloro-N,N-bis(prop-2-enyl)pyridin-2-amine
SMILESC=CCN(CC=C)c1ccc(Cl)c(CN)n1
InChIInChI=1S/C12H16ClN3/c1-3-7-16(8-4-2)12-6-5-10(13)11(9-14)15-12/h3-6H,1-2,7-9,14H2
InChIKeyYBNUOOZGNHYSTC-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.37
Rot. Bonds6

About 6-(aminomethyl)-5-chloro-N,N-bis(prop-2-enyl)pyridin-2-amine

6-(aminomethyl)-5-chloro-N,N-bis(prop-2-enyl)pyridin-2-amine (PubChem CID 62299092) has the molecular formula C12H16ClN3 and a molecular weight of 237.73 g/mol. Its IUPAC name is 6-(aminomethyl)-5-chloro-N,N-bis(prop-2-enyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(aminomethyl)-5-chloro-N,N-bis(prop-2-enyl)pyridin-2-amine
PubChem CID62299092
Molecular FormulaC12H16ClN3
Molecular Weight237.73 g/mol
Exact Mass237.10
IUPAC Name6-(aminomethyl)-5-chloro-N,N-bis(prop-2-enyl)pyridin-2-amine
SMILESC=CCN(CC=C)c1ccc(Cl)c(CN)n1
InChIInChI=1S/C12H16ClN3/c1-3-7-16(8-4-2)12-6-5-10(13)11(9-14)15-12/h3-6H,1-2,7-9,14H2
InChIKeyYBNUOOZGNHYSTC-UHFFFAOYSA-N
XLogP2.37
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.37
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

6-(aminomethyl)-5-chloro-N,N-diethylpyridin-2-amine
CID 62299273
6-(aminomethyl)-5-chloro-N,N-bis(3-methylbutyl)pyridin-2-amine
CID 107871203
6-(aminomethyl)-N,N-bis(prop-2-enyl)pyridin-2-amine
CID 62299091
6-[(tert-butylamino)methyl]-5-chloro-N-(2-methoxyethyl)-N-prop-2-enylpyridin-2-amine
CID 103340062
(6-but-3-enoxy-3-chloro-2-pyridinyl)methanamine
CID 62289507
6-(aminomethyl)-5-chloro-N-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 62298768
6-(aminomethyl)-5-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridin-2-amine
CID 62286059
6-chloro-N,N-bis(prop-2-enyl)triazin-4-amine
CID 19752277
6-(aminomethyl)-5-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine
CID 63866672
6-(aminomethyl)-5-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine
CID 62286054
6-[bis(prop-2-enyl)amino]pyridine-3-carbaldehyde
CID 80636417
6-(aminomethyl)-5-chloro-N-methyl-N-[(3-methylphenyl)methyl]pyridin-2-amine
CID 55054743

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-5-chloro-N,N-bis(prop-2-enyl)pyridin-2-amine?
The IUPAC name of 6-(aminomethyl)-5-chloro-N,N-bis(prop-2-enyl)pyridin-2-amine (CID 62299092) is 6-(aminomethyl)-5-chloro-N,N-bis(prop-2-enyl)pyridin-2-amine.
What is the SMILES notation for 6-(aminomethyl)-5-chloro-N,N-bis(prop-2-enyl)pyridin-2-amine?
The canonical SMILES for 6-(aminomethyl)-5-chloro-N,N-bis(prop-2-enyl)pyridin-2-amine is C=CCN(CC=C)c1ccc(Cl)c(CN)n1.
What is the InChIKey of 6-(aminomethyl)-5-chloro-N,N-bis(prop-2-enyl)pyridin-2-amine?
The InChIKey is YBNUOOZGNHYSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3/c1-3-7-16(8-4-2)12-6-5-10(13)11(9-14)15-12/h3-6H,1-2,7-9,14H2.
What are the key properties of 6-(aminomethyl)-5-chloro-N,N-bis(prop-2-enyl)pyridin-2-amine?
6-(aminomethyl)-5-chloro-N,N-bis(prop-2-enyl)pyridin-2-amine has a molecular weight of 237.73 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-5-chloro-N,N-bis(prop-2-enyl)pyridin-2-amine is sourced from PubChem (CID 62299092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).