N-(2-aminoethyl)-4-methylidenecyclohexa-1,5-diene-1-carboxamide

C10H14N2O — CID 21257353

IUPACN-(2-aminoethyl)-4-methylidenecyclohexa-1,5-diene-1-carboxamide
SMILESC=C1C=CC(C(=O)NCCN)=CC1
InChIInChI=1S/C10H14N2O/c1-8-2-4-9(5-3-8)10(13)12-7-6-11/h2,4-5H,1,3,6-7,11H2,(H,12,13)
InChIKeyCZVWBOFGULZUGE-UHFFFAOYSA-N
MW178.23 g/mol
LogP0.50
Rot. Bonds3

About N-(2-aminoethyl)-4-methylidenecyclohexa-1,5-diene-1-carboxamide

N-(2-aminoethyl)-4-methylidenecyclohexa-1,5-diene-1-carboxamide (PubChem CID 21257353) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-methylidenecyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-methylidenecyclohexa-1,5-diene-1-carboxamide
PubChem CID21257353
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC NameN-(2-aminoethyl)-4-methylidenecyclohexa-1,5-diene-1-carboxamide
SMILESC=C1C=CC(C(=O)NCCN)=CC1
InChIInChI=1S/C10H14N2O/c1-8-2-4-9(5-3-8)10(13)12-7-6-11/h2,4-5H,1,3,6-7,11H2,(H,12,13)
InChIKeyCZVWBOFGULZUGE-UHFFFAOYSA-N
XLogP0.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-methylidenecyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of N-(2-aminoethyl)-4-methylidenecyclohexa-1,5-diene-1-carboxamide (CID 21257353) is N-(2-aminoethyl)-4-methylidenecyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-4-methylidenecyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-4-methylidenecyclohexa-1,5-diene-1-carboxamide is C=C1C=CC(C(=O)NCCN)=CC1.
What is the InChIKey of N-(2-aminoethyl)-4-methylidenecyclohexa-1,5-diene-1-carboxamide?
The InChIKey is CZVWBOFGULZUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-8-2-4-9(5-3-8)10(13)12-7-6-11/h2,4-5H,1,3,6-7,11H2,(H,12,13).
What are the key properties of N-(2-aminoethyl)-4-methylidenecyclohexa-1,5-diene-1-carboxamide?
N-(2-aminoethyl)-4-methylidenecyclohexa-1,5-diene-1-carboxamide has a molecular weight of 178.23 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-methylidenecyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 21257353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).