6-benzyl-N-methyl-5-[(E)-prop-1-enyl]pyridin-2-amine

C16H18N2 — CID 163248612

IUPAC6-benzyl-N-methyl-5-[(E)-prop-1-enyl]pyridin-2-amine
SMILESC/C=C/c1ccc(NC)nc1Cc1ccccc1
InChIInChI=1S/C16H18N2/c1-3-7-14-10-11-16(17-2)18-15(14)12-13-8-5-4-6-9-13/h3-11H,12H2,1-2H3,(H,17,18)/b7-3+
InChIKeyMKNRYBLRZRMBAN-XVNBXDOJSA-N
MW238.33 g/mol
LogP3.75
Rot. Bonds4

About 6-benzyl-N-methyl-5-[(E)-prop-1-enyl]pyridin-2-amine

6-benzyl-N-methyl-5-[(E)-prop-1-enyl]pyridin-2-amine (PubChem CID 163248612) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 6-benzyl-N-methyl-5-[(E)-prop-1-enyl]pyridin-2-amine.

Molecular Properties

Compound Name6-benzyl-N-methyl-5-[(E)-prop-1-enyl]pyridin-2-amine
PubChem CID163248612
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name6-benzyl-N-methyl-5-[(E)-prop-1-enyl]pyridin-2-amine
SMILESC/C=C/c1ccc(NC)nc1Cc1ccccc1
InChIInChI=1S/C16H18N2/c1-3-7-14-10-11-16(17-2)18-15(14)12-13-8-5-4-6-9-13/h3-11H,12H2,1-2H3,(H,17,18)/b7-3+
InChIKeyMKNRYBLRZRMBAN-XVNBXDOJSA-N
XLogP3.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-benzyl-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine
CID 12526552
N-methyl-2-(2-phenylethyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821248
1,2-bis[(E)-prop-1-enyl]naphthalene
CID 19743380
2-benzyl-3-ethenylquinoline;hydrochloride
CID 175293125
6-ethyl-N-methyl-2-(2-phenylethyl)pyrimidin-4-amine
CID 62190210
2-N-methyl-6-N-(4-phenylbutan-2-yl)pyridine-2,6-diamine
CID 80811958
6-bromo-N-methyl-5-phenylmethoxypyridin-2-amine
CID 167449160
benzylbenzene;1-[(Z)-prop-1-enyl]-3-prop-1-en-2-ylbenzene
CID 142453326
6-ethyl-N,4-dimethylquinolin-2-amine
CID 84619685
5,6-dibenzylpyridine-2,3,4-triamine
CID 19038977
benzylbenzene;ethane;methanamine
CID 54117827
6-N-methyl-2-N-(2-phenylethyl)pyrazine-2,6-diamine
CID 80778395

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-N-methyl-5-[(E)-prop-1-enyl]pyridin-2-amine?
The IUPAC name of 6-benzyl-N-methyl-5-[(E)-prop-1-enyl]pyridin-2-amine (CID 163248612) is 6-benzyl-N-methyl-5-[(E)-prop-1-enyl]pyridin-2-amine.
What is the SMILES notation for 6-benzyl-N-methyl-5-[(E)-prop-1-enyl]pyridin-2-amine?
The canonical SMILES for 6-benzyl-N-methyl-5-[(E)-prop-1-enyl]pyridin-2-amine is C/C=C/c1ccc(NC)nc1Cc1ccccc1.
What is the InChIKey of 6-benzyl-N-methyl-5-[(E)-prop-1-enyl]pyridin-2-amine?
The InChIKey is MKNRYBLRZRMBAN-XVNBXDOJSA-N. The full InChI is InChI=1S/C16H18N2/c1-3-7-14-10-11-16(17-2)18-15(14)12-13-8-5-4-6-9-13/h3-11H,12H2,1-2H3,(H,17,18)/b7-3+.
What are the key properties of 6-benzyl-N-methyl-5-[(E)-prop-1-enyl]pyridin-2-amine?
6-benzyl-N-methyl-5-[(E)-prop-1-enyl]pyridin-2-amine has a molecular weight of 238.33 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-N-methyl-5-[(E)-prop-1-enyl]pyridin-2-amine is sourced from PubChem (CID 163248612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).