1-benzyl-4-methyl-3,6-dihydro-2H-pyridin-5-amine

C13H18N2 — CID 139357568

IUPAC1-benzyl-4-methyl-3,6-dihydro-2H-pyridin-5-amine
SMILESCC1=C(N)CN(Cc2ccccc2)CC1
InChIInChI=1S/C13H18N2/c1-11-7-8-15(10-13(11)14)9-12-5-3-2-4-6-12/h2-6H,7-10,14H2,1H3
InChIKeyRWJPRXMIVAQGDN-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.12
Rot. Bonds2

About 1-benzyl-4-methyl-3,6-dihydro-2H-pyridin-5-amine

1-benzyl-4-methyl-3,6-dihydro-2H-pyridin-5-amine (PubChem CID 139357568) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-benzyl-4-methyl-3,6-dihydro-2H-pyridin-5-amine.

Molecular Properties

Compound Name1-benzyl-4-methyl-3,6-dihydro-2H-pyridin-5-amine
PubChem CID139357568
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name1-benzyl-4-methyl-3,6-dihydro-2H-pyridin-5-amine
SMILESCC1=C(N)CN(Cc2ccccc2)CC1
InChIInChI=1S/C13H18N2/c1-11-7-8-15(10-13(11)14)9-12-5-3-2-4-6-12/h2-6H,7-10,14H2,1H3
InChIKeyRWJPRXMIVAQGDN-UHFFFAOYSA-N
XLogP2.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-methyl-3,6-dihydro-2H-pyridin-5-amine?
The IUPAC name of 1-benzyl-4-methyl-3,6-dihydro-2H-pyridin-5-amine (CID 139357568) is 1-benzyl-4-methyl-3,6-dihydro-2H-pyridin-5-amine.
What is the SMILES notation for 1-benzyl-4-methyl-3,6-dihydro-2H-pyridin-5-amine?
The canonical SMILES for 1-benzyl-4-methyl-3,6-dihydro-2H-pyridin-5-amine is CC1=C(N)CN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-methyl-3,6-dihydro-2H-pyridin-5-amine?
The InChIKey is RWJPRXMIVAQGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-11-7-8-15(10-13(11)14)9-12-5-3-2-4-6-12/h2-6H,7-10,14H2,1H3.
What are the key properties of 1-benzyl-4-methyl-3,6-dihydro-2H-pyridin-5-amine?
1-benzyl-4-methyl-3,6-dihydro-2H-pyridin-5-amine has a molecular weight of 202.30 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-methyl-3,6-dihydro-2H-pyridin-5-amine is sourced from PubChem (CID 139357568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).