N-amino-N-[(Z)-(4-chloro-6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]prop-2-en-1-amine

C10H12ClN3 — CID 122662804

IUPACN-amino-N-[(Z)-(4-chloro-6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]prop-2-en-1-amine
SMILESC=CCN(N)/N=C1/C=CC(Cl)=CC1=C
InChIInChI=1S/C10H12ClN3/c1-3-6-14(12)13-10-5-4-9(11)7-8(10)2/h3-5,7H,1-2,6,12H2/b13-10-
InChIKeyMFDPUYDBSDYZRW-RAXLEYEMSA-N
MW209.68 g/mol
LogP1.95
Rot. Bonds3

About N-amino-N-[(Z)-(4-chloro-6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]prop-2-en-1-amine

N-amino-N-[(Z)-(4-chloro-6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]prop-2-en-1-amine (PubChem CID 122662804) has the molecular formula C10H12ClN3 and a molecular weight of 209.68 g/mol. Its IUPAC name is N-amino-N-[(Z)-(4-chloro-6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]prop-2-en-1-amine.

Molecular Properties

Compound NameN-amino-N-[(Z)-(4-chloro-6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]prop-2-en-1-amine
PubChem CID122662804
Molecular FormulaC10H12ClN3
Molecular Weight209.68 g/mol
Exact Mass209.07
IUPAC NameN-amino-N-[(Z)-(4-chloro-6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]prop-2-en-1-amine
SMILESC=CCN(N)/N=C1/C=CC(Cl)=CC1=C
InChIInChI=1S/C10H12ClN3/c1-3-6-14(12)13-10-5-4-9(11)7-8(10)2/h3-5,7H,1-2,6,12H2/b13-10-
InChIKeyMFDPUYDBSDYZRW-RAXLEYEMSA-N
XLogP1.95
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-amino-N-[(Z)-(4-chloro-6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]prop-2-en-1-amine?
The IUPAC name of N-amino-N-[(Z)-(4-chloro-6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]prop-2-en-1-amine (CID 122662804) is N-amino-N-[(Z)-(4-chloro-6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]prop-2-en-1-amine.
What is the SMILES notation for N-amino-N-[(Z)-(4-chloro-6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]prop-2-en-1-amine?
The canonical SMILES for N-amino-N-[(Z)-(4-chloro-6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]prop-2-en-1-amine is C=CCN(N)/N=C1/C=CC(Cl)=CC1=C.
What is the InChIKey of N-amino-N-[(Z)-(4-chloro-6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]prop-2-en-1-amine?
The InChIKey is MFDPUYDBSDYZRW-RAXLEYEMSA-N. The full InChI is InChI=1S/C10H12ClN3/c1-3-6-14(12)13-10-5-4-9(11)7-8(10)2/h3-5,7H,1-2,6,12H2/b13-10-.
What are the key properties of N-amino-N-[(Z)-(4-chloro-6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]prop-2-en-1-amine?
N-amino-N-[(Z)-(4-chloro-6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]prop-2-en-1-amine has a molecular weight of 209.68 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N-[(Z)-(4-chloro-6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]prop-2-en-1-amine is sourced from PubChem (CID 122662804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).