N-[(4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]-5-methyl-1,2-dihydropyridin-2-amine

C14H20N2 — CID 163708417

IUPACN-[(4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]-5-methyl-1,2-dihydropyridin-2-amine
SMILESCC1=CNC(NC2=CC(C)[C@@H](C)C=C2)C=C1
InChIInChI=1S/C14H20N2/c1-10-4-7-14(15-9-10)16-13-6-5-11(2)12(3)8-13/h4-9,11-12,14-16H,1-3H3/t11-,12?,14?/m0/s1
InChIKeyKHBZREYANHVBKW-DCBWTQNWSA-N
MW216.33 g/mol
LogP2.69
Rot. Bonds2

About N-[(4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]-5-methyl-1,2-dihydropyridin-2-amine

N-[(4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]-5-methyl-1,2-dihydropyridin-2-amine (PubChem CID 163708417) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is N-[(4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]-5-methyl-1,2-dihydropyridin-2-amine.

Molecular Properties

Compound NameN-[(4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]-5-methyl-1,2-dihydropyridin-2-amine
PubChem CID163708417
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC NameN-[(4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]-5-methyl-1,2-dihydropyridin-2-amine
SMILESCC1=CNC(NC2=CC(C)[C@@H](C)C=C2)C=C1
InChIInChI=1S/C14H20N2/c1-10-4-7-14(15-9-10)16-13-6-5-11(2)12(3)8-13/h4-9,11-12,14-16H,1-3H3/t11-,12?,14?/m0/s1
InChIKeyKHBZREYANHVBKW-DCBWTQNWSA-N
XLogP2.69
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]-5-methyl-1,2-dihydropyridin-2-amine?
The IUPAC name of N-[(4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]-5-methyl-1,2-dihydropyridin-2-amine (CID 163708417) is N-[(4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]-5-methyl-1,2-dihydropyridin-2-amine.
What is the SMILES notation for N-[(4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]-5-methyl-1,2-dihydropyridin-2-amine?
The canonical SMILES for N-[(4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]-5-methyl-1,2-dihydropyridin-2-amine is CC1=CNC(NC2=CC(C)[C@@H](C)C=C2)C=C1.
What is the InChIKey of N-[(4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]-5-methyl-1,2-dihydropyridin-2-amine?
The InChIKey is KHBZREYANHVBKW-DCBWTQNWSA-N. The full InChI is InChI=1S/C14H20N2/c1-10-4-7-14(15-9-10)16-13-6-5-11(2)12(3)8-13/h4-9,11-12,14-16H,1-3H3/t11-,12?,14?/m0/s1.
What are the key properties of N-[(4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]-5-methyl-1,2-dihydropyridin-2-amine?
N-[(4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]-5-methyl-1,2-dihydropyridin-2-amine has a molecular weight of 216.33 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]-5-methyl-1,2-dihydropyridin-2-amine is sourced from PubChem (CID 163708417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).