N-ethylcyclohexa-2,4-dien-1-amine

C8H13N — CID 58247690

IUPACN-ethylcyclohexa-2,4-dien-1-amine
SMILESCCNC1C=CC=CC1
InChIInChI=1S/C8H13N/c1-2-9-8-6-4-3-5-7-8/h3-6,8-9H,2,7H2,1H3
InChIKeyWRPGLAVBWPXDSR-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.48
Rot. Bonds2

About N-ethylcyclohexa-2,4-dien-1-amine

N-ethylcyclohexa-2,4-dien-1-amine (PubChem CID 58247690) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is N-ethylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN-ethylcyclohexa-2,4-dien-1-amine
PubChem CID58247690
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC NameN-ethylcyclohexa-2,4-dien-1-amine
SMILESCCNC1C=CC=CC1
InChIInChI=1S/C8H13N/c1-2-9-8-6-4-3-5-7-8/h3-6,8-9H,2,7H2,1H3
InChIKeyWRPGLAVBWPXDSR-UHFFFAOYSA-N
XLogP1.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethylcyclohexa-2,4-dien-1-amine?
The IUPAC name of N-ethylcyclohexa-2,4-dien-1-amine (CID 58247690) is N-ethylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for N-ethylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for N-ethylcyclohexa-2,4-dien-1-amine is CCNC1C=CC=CC1.
What is the InChIKey of N-ethylcyclohexa-2,4-dien-1-amine?
The InChIKey is WRPGLAVBWPXDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-2-9-8-6-4-3-5-7-8/h3-6,8-9H,2,7H2,1H3.
What are the key properties of N-ethylcyclohexa-2,4-dien-1-amine?
N-ethylcyclohexa-2,4-dien-1-amine has a molecular weight of 123.20 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 58247690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).