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

C16H24N2 — CID 67748879

IUPAC4-(4-amino-1-ethylcyclohexa-2,4-dien-1-yl)-4-ethylcyclohexa-1,5-dien-1-amine
SMILESCCC1(C2(CC)C=CC(N)=CC2)C=CC(N)=CC1
InChIInChI=1S/C16H24N2/c1-3-15(9-5-13(17)6-10-15)16(4-2)11-7-14(18)8-12-16/h5-9,11H,3-4,10,12,17-18H2,1-2H3
InChIKeyJEMNATGKQZKACC-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.38
Rot. Bonds3

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

4-(4-amino-1-ethylcyclohexa-2,4-dien-1-yl)-4-ethylcyclohexa-1,5-dien-1-amine (PubChem CID 67748879) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 4-(4-amino-1-ethylcyclohexa-2,4-dien-1-yl)-4-ethylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name4-(4-amino-1-ethylcyclohexa-2,4-dien-1-yl)-4-ethylcyclohexa-1,5-dien-1-amine
PubChem CID67748879
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name4-(4-amino-1-ethylcyclohexa-2,4-dien-1-yl)-4-ethylcyclohexa-1,5-dien-1-amine
SMILESCCC1(C2(CC)C=CC(N)=CC2)C=CC(N)=CC1
InChIInChI=1S/C16H24N2/c1-3-15(9-5-13(17)6-10-15)16(4-2)11-7-14(18)8-12-16/h5-9,11H,3-4,10,12,17-18H2,1-2H3
InChIKeyJEMNATGKQZKACC-UHFFFAOYSA-N
XLogP3.38
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-1-ethylcyclohexa-2,4-dien-1-yl)-4-ethylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 4-(4-amino-1-ethylcyclohexa-2,4-dien-1-yl)-4-ethylcyclohexa-1,5-dien-1-amine (CID 67748879) is 4-(4-amino-1-ethylcyclohexa-2,4-dien-1-yl)-4-ethylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 4-(4-amino-1-ethylcyclohexa-2,4-dien-1-yl)-4-ethylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 4-(4-amino-1-ethylcyclohexa-2,4-dien-1-yl)-4-ethylcyclohexa-1,5-dien-1-amine is CCC1(C2(CC)C=CC(N)=CC2)C=CC(N)=CC1.
What is the InChIKey of 4-(4-amino-1-ethylcyclohexa-2,4-dien-1-yl)-4-ethylcyclohexa-1,5-dien-1-amine?
The InChIKey is JEMNATGKQZKACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-3-15(9-5-13(17)6-10-15)16(4-2)11-7-14(18)8-12-16/h5-9,11H,3-4,10,12,17-18H2,1-2H3.
What are the key properties of 4-(4-amino-1-ethylcyclohexa-2,4-dien-1-yl)-4-ethylcyclohexa-1,5-dien-1-amine?
4-(4-amino-1-ethylcyclohexa-2,4-dien-1-yl)-4-ethylcyclohexa-1,5-dien-1-amine has a molecular weight of 244.38 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-1-ethylcyclohexa-2,4-dien-1-yl)-4-ethylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 67748879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).