2-N-methyl-2-N-(3-methylcyclohexa-2,4-dien-1-yl)cyclohexa-3,5-diene-1,2-diamine

C14H20N2 — CID 91238556

IUPAC2-N-methyl-2-N-(3-methylcyclohexa-2,4-dien-1-yl)cyclohexa-3,5-diene-1,2-diamine
SMILESCC1=CC(N(C)C2C=CC=CC2N)CC=C1
InChIInChI=1S/C14H20N2/c1-11-6-5-7-12(10-11)16(2)14-9-4-3-8-13(14)15/h3-6,8-10,12-14H,7,15H2,1-2H3
InChIKeyFLXSKNXSANVTPV-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.01
Rot. Bonds2

About 2-N-methyl-2-N-(3-methylcyclohexa-2,4-dien-1-yl)cyclohexa-3,5-diene-1,2-diamine

2-N-methyl-2-N-(3-methylcyclohexa-2,4-dien-1-yl)cyclohexa-3,5-diene-1,2-diamine (PubChem CID 91238556) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-N-methyl-2-N-(3-methylcyclohexa-2,4-dien-1-yl)cyclohexa-3,5-diene-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(3-methylcyclohexa-2,4-dien-1-yl)cyclohexa-3,5-diene-1,2-diamine
PubChem CID91238556
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2-N-methyl-2-N-(3-methylcyclohexa-2,4-dien-1-yl)cyclohexa-3,5-diene-1,2-diamine
SMILESCC1=CC(N(C)C2C=CC=CC2N)CC=C1
InChIInChI=1S/C14H20N2/c1-11-6-5-7-12(10-11)16(2)14-9-4-3-8-13(14)15/h3-6,8-10,12-14H,7,15H2,1-2H3
InChIKeyFLXSKNXSANVTPV-UHFFFAOYSA-N
XLogP2.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(3-methylcyclohexa-2,4-dien-1-yl)cyclohexa-3,5-diene-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-(3-methylcyclohexa-2,4-dien-1-yl)cyclohexa-3,5-diene-1,2-diamine (CID 91238556) is 2-N-methyl-2-N-(3-methylcyclohexa-2,4-dien-1-yl)cyclohexa-3,5-diene-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(3-methylcyclohexa-2,4-dien-1-yl)cyclohexa-3,5-diene-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-(3-methylcyclohexa-2,4-dien-1-yl)cyclohexa-3,5-diene-1,2-diamine is CC1=CC(N(C)C2C=CC=CC2N)CC=C1.
What is the InChIKey of 2-N-methyl-2-N-(3-methylcyclohexa-2,4-dien-1-yl)cyclohexa-3,5-diene-1,2-diamine?
The InChIKey is FLXSKNXSANVTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-11-6-5-7-12(10-11)16(2)14-9-4-3-8-13(14)15/h3-6,8-10,12-14H,7,15H2,1-2H3.
What are the key properties of 2-N-methyl-2-N-(3-methylcyclohexa-2,4-dien-1-yl)cyclohexa-3,5-diene-1,2-diamine?
2-N-methyl-2-N-(3-methylcyclohexa-2,4-dien-1-yl)cyclohexa-3,5-diene-1,2-diamine has a molecular weight of 216.33 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(3-methylcyclohexa-2,4-dien-1-yl)cyclohexa-3,5-diene-1,2-diamine is sourced from PubChem (CID 91238556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).