N-amino-N-[(Z)-(6-methylcyclohexa-2,4-dien-1-ylidene)amino]methanamine;ethane

C10H19N3 — CID 143377538

IUPACN-amino-N-[(Z)-(6-methylcyclohexa-2,4-dien-1-ylidene)amino]methanamine;ethane
SMILESCC.CC1C=CC=C/C1=N/N(C)N
InChIInChI=1S/C8H13N3.C2H6/c1-7-5-3-4-6-8(7)10-11(2)9;1-2/h3-7H,9H2,1-2H3;1-2H3/b10-8-;
InChIKeyYPAHAPZWJMJHSY-DQMXGCRQSA-N
MW181.28 g/mol
LogP1.94
Rot. Bonds1

About N-amino-N-[(Z)-(6-methylcyclohexa-2,4-dien-1-ylidene)amino]methanamine;ethane

N-amino-N-[(Z)-(6-methylcyclohexa-2,4-dien-1-ylidene)amino]methanamine;ethane (PubChem CID 143377538) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N-amino-N-[(Z)-(6-methylcyclohexa-2,4-dien-1-ylidene)amino]methanamine;ethane.

Molecular Properties

Compound NameN-amino-N-[(Z)-(6-methylcyclohexa-2,4-dien-1-ylidene)amino]methanamine;ethane
PubChem CID143377538
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN-amino-N-[(Z)-(6-methylcyclohexa-2,4-dien-1-ylidene)amino]methanamine;ethane
SMILESCC.CC1C=CC=C/C1=N/N(C)N
InChIInChI=1S/C8H13N3.C2H6/c1-7-5-3-4-6-8(7)10-11(2)9;1-2/h3-7H,9H2,1-2H3;1-2H3/b10-8-;
InChIKeyYPAHAPZWJMJHSY-DQMXGCRQSA-N
XLogP1.94
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.94
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-[(4Z)-2,6-dimethylhepta-4,6-dien-3-ylidene]hydrazine
CID 89098775
N-amino-N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine
CID 89267454
N-iodo-N-[(Z)-[(6E)-6-(2-methylbutylidene)cyclohexa-2,4-dien-1-ylidene]amino]methanamine
CID 126546776
(Z)-6-methyl-N-(methylideneamino)cyclohexa-2,4-dien-1-imine
CID 130347238
(Z)-(6-ethenylcyclohexa-2,4-dien-1-ylidene)hydrazine
CID 130347241
(E)-[(2Z,6Z)-5-methylnona-2,6,8-trien-4-ylidene]hydrazine
CID 132199564
(Z)-[(Z)-2-methyloct-4-en-3-ylidene]hydrazine
CID 134545015
N-amino-N-[(E)-cyclohexa-2,4-dien-1-ylmethylideneamino]methanamine
CID 138617972
N-[(Z)-[(3Z)-4-propan-2-ylhexa-3,5-dien-2-ylidene]amino]methanamine
CID 138703021
N-[(Z)-[(4Z)-5-ethyl-2-methylhepta-4,6-dien-3-ylidene]amino]-N-methylmethanamine
CID 139521870
N-[(Z)-[(4Z)-2,5-dimethylhepta-4,6-dien-3-ylidene]amino]-N-methylmethanamine
CID 139522245
N-[(E)-1-(4-methylcyclohexa-1,5-dien-1-yl)propylideneamino]methanamine
CID 142535058

Frequently Asked Questions

What is the IUPAC name of N-amino-N-[(Z)-(6-methylcyclohexa-2,4-dien-1-ylidene)amino]methanamine;ethane?
The IUPAC name of N-amino-N-[(Z)-(6-methylcyclohexa-2,4-dien-1-ylidene)amino]methanamine;ethane (CID 143377538) is N-amino-N-[(Z)-(6-methylcyclohexa-2,4-dien-1-ylidene)amino]methanamine;ethane.
What is the SMILES notation for N-amino-N-[(Z)-(6-methylcyclohexa-2,4-dien-1-ylidene)amino]methanamine;ethane?
The canonical SMILES for N-amino-N-[(Z)-(6-methylcyclohexa-2,4-dien-1-ylidene)amino]methanamine;ethane is CC.CC1C=CC=C/C1=N/N(C)N.
What is the InChIKey of N-amino-N-[(Z)-(6-methylcyclohexa-2,4-dien-1-ylidene)amino]methanamine;ethane?
The InChIKey is YPAHAPZWJMJHSY-DQMXGCRQSA-N. The full InChI is InChI=1S/C8H13N3.C2H6/c1-7-5-3-4-6-8(7)10-11(2)9;1-2/h3-7H,9H2,1-2H3;1-2H3/b10-8-;.
What are the key properties of N-amino-N-[(Z)-(6-methylcyclohexa-2,4-dien-1-ylidene)amino]methanamine;ethane?
N-amino-N-[(Z)-(6-methylcyclohexa-2,4-dien-1-ylidene)amino]methanamine;ethane has a molecular weight of 181.28 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N-[(Z)-(6-methylcyclohexa-2,4-dien-1-ylidene)amino]methanamine;ethane is sourced from PubChem (CID 143377538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).