4-(2-aminoethyl)cyclohexa-2,4-dien-1-amine

C8H14N2 — CID 89018205

IUPAC4-(2-aminoethyl)cyclohexa-2,4-dien-1-amine
SMILESNCCC1=CCC(N)C=C1
InChIInChI=1S/C8H14N2/c9-6-5-7-1-3-8(10)4-2-7/h1-3,8H,4-6,9-10H2
InChIKeyOYWCENMRAZELIU-UHFFFAOYSA-N
MW138.21 g/mol
LogP0.55
Rot. Bonds2

About 4-(2-aminoethyl)cyclohexa-2,4-dien-1-amine

4-(2-aminoethyl)cyclohexa-2,4-dien-1-amine (PubChem CID 89018205) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 4-(2-aminoethyl)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-(2-aminoethyl)cyclohexa-2,4-dien-1-amine
PubChem CID89018205
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name4-(2-aminoethyl)cyclohexa-2,4-dien-1-amine
SMILESNCCC1=CCC(N)C=C1
InChIInChI=1S/C8H14N2/c9-6-5-7-1-3-8(10)4-2-7/h1-3,8H,4-6,9-10H2
InChIKeyOYWCENMRAZELIU-UHFFFAOYSA-N
XLogP0.55
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)cyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-(2-aminoethyl)cyclohexa-2,4-dien-1-amine (CID 89018205) is 4-(2-aminoethyl)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-(2-aminoethyl)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-(2-aminoethyl)cyclohexa-2,4-dien-1-amine is NCCC1=CCC(N)C=C1.
What is the InChIKey of 4-(2-aminoethyl)cyclohexa-2,4-dien-1-amine?
The InChIKey is OYWCENMRAZELIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c9-6-5-7-1-3-8(10)4-2-7/h1-3,8H,4-6,9-10H2.
What are the key properties of 4-(2-aminoethyl)cyclohexa-2,4-dien-1-amine?
4-(2-aminoethyl)cyclohexa-2,4-dien-1-amine has a molecular weight of 138.21 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 89018205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).