5-(5-amino-5-methylcyclohexa-1,3-dien-1-yl)-1-methylcyclohexa-2,4-dien-1-amine

C14H20N2 — CID 18960313

IUPAC5-(5-amino-5-methylcyclohexa-1,3-dien-1-yl)-1-methylcyclohexa-2,4-dien-1-amine
SMILESCC1(N)C=CC=C(C2=CC=CC(C)(N)C2)C1
InChIInChI=1S/C14H20N2/c1-13(15)7-3-5-11(9-13)12-6-4-8-14(2,16)10-12/h3-8H,9-10,15-16H2,1-2H3
InChIKeyMCJDQRSRFKZQAQ-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.19
Rot. Bonds1

About 5-(5-amino-5-methylcyclohexa-1,3-dien-1-yl)-1-methylcyclohexa-2,4-dien-1-amine

5-(5-amino-5-methylcyclohexa-1,3-dien-1-yl)-1-methylcyclohexa-2,4-dien-1-amine (PubChem CID 18960313) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 5-(5-amino-5-methylcyclohexa-1,3-dien-1-yl)-1-methylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name5-(5-amino-5-methylcyclohexa-1,3-dien-1-yl)-1-methylcyclohexa-2,4-dien-1-amine
PubChem CID18960313
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name5-(5-amino-5-methylcyclohexa-1,3-dien-1-yl)-1-methylcyclohexa-2,4-dien-1-amine
SMILESCC1(N)C=CC=C(C2=CC=CC(C)(N)C2)C1
InChIInChI=1S/C14H20N2/c1-13(15)7-3-5-11(9-13)12-6-4-8-14(2,16)10-12/h3-8H,9-10,15-16H2,1-2H3
InChIKeyMCJDQRSRFKZQAQ-UHFFFAOYSA-N
XLogP2.19
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-5-methylcyclohexa-1,3-dien-1-yl)-1-methylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 5-(5-amino-5-methylcyclohexa-1,3-dien-1-yl)-1-methylcyclohexa-2,4-dien-1-amine (CID 18960313) is 5-(5-amino-5-methylcyclohexa-1,3-dien-1-yl)-1-methylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 5-(5-amino-5-methylcyclohexa-1,3-dien-1-yl)-1-methylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 5-(5-amino-5-methylcyclohexa-1,3-dien-1-yl)-1-methylcyclohexa-2,4-dien-1-amine is CC1(N)C=CC=C(C2=CC=CC(C)(N)C2)C1.
What is the InChIKey of 5-(5-amino-5-methylcyclohexa-1,3-dien-1-yl)-1-methylcyclohexa-2,4-dien-1-amine?
The InChIKey is MCJDQRSRFKZQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-13(15)7-3-5-11(9-13)12-6-4-8-14(2,16)10-12/h3-8H,9-10,15-16H2,1-2H3.
What are the key properties of 5-(5-amino-5-methylcyclohexa-1,3-dien-1-yl)-1-methylcyclohexa-2,4-dien-1-amine?
5-(5-amino-5-methylcyclohexa-1,3-dien-1-yl)-1-methylcyclohexa-2,4-dien-1-amine has a molecular weight of 216.33 g/mol, XLogP of 2.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-5-methylcyclohexa-1,3-dien-1-yl)-1-methylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 18960313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).