N,N-diamino-4,6-diethyl-6-methylcyclohexa-2,4-dien-1-amine

C11H21N3 — CID 67886016

IUPACN,N-diamino-4,6-diethyl-6-methylcyclohexa-2,4-dien-1-amine
SMILESCCC1=CC(C)(CC)C(N(N)N)C=C1
InChIInChI=1S/C11H21N3/c1-4-9-6-7-10(14(12)13)11(3,5-2)8-9/h6-8,10H,4-5,12-13H2,1-3H3
InChIKeyYCXQFBYYGNUPGS-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.73
Rot. Bonds3

About N,N-diamino-4,6-diethyl-6-methylcyclohexa-2,4-dien-1-amine

N,N-diamino-4,6-diethyl-6-methylcyclohexa-2,4-dien-1-amine (PubChem CID 67886016) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N,N-diamino-4,6-diethyl-6-methylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN,N-diamino-4,6-diethyl-6-methylcyclohexa-2,4-dien-1-amine
PubChem CID67886016
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN,N-diamino-4,6-diethyl-6-methylcyclohexa-2,4-dien-1-amine
SMILESCCC1=CC(C)(CC)C(N(N)N)C=C1
InChIInChI=1S/C11H21N3/c1-4-9-6-7-10(14(12)13)11(3,5-2)8-9/h6-8,10H,4-5,12-13H2,1-3H3
InChIKeyYCXQFBYYGNUPGS-UHFFFAOYSA-N
XLogP1.73
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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,N-diamino-4,6-diethyl-6-methylcyclohexa-2,4-dien-1-amine?
The IUPAC name of N,N-diamino-4,6-diethyl-6-methylcyclohexa-2,4-dien-1-amine (CID 67886016) is N,N-diamino-4,6-diethyl-6-methylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for N,N-diamino-4,6-diethyl-6-methylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for N,N-diamino-4,6-diethyl-6-methylcyclohexa-2,4-dien-1-amine is CCC1=CC(C)(CC)C(N(N)N)C=C1.
What is the InChIKey of N,N-diamino-4,6-diethyl-6-methylcyclohexa-2,4-dien-1-amine?
The InChIKey is YCXQFBYYGNUPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-4-9-6-7-10(14(12)13)11(3,5-2)8-9/h6-8,10H,4-5,12-13H2,1-3H3.
What are the key properties of N,N-diamino-4,6-diethyl-6-methylcyclohexa-2,4-dien-1-amine?
N,N-diamino-4,6-diethyl-6-methylcyclohexa-2,4-dien-1-amine has a molecular weight of 195.31 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diamino-4,6-diethyl-6-methylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 67886016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).