N-(6-ethylidenecyclohexa-2,4-dien-1-yl)ethanimine;hexane-1,1-diamine

C16H29N3 — CID 70417806

IUPACN-(6-ethylidenecyclohexa-2,4-dien-1-yl)ethanimine;hexane-1,1-diamine
SMILESCC=C1C=CC=CC1/N=C/C.CCCCCC(N)N
InChIInChI=1S/C10H13N.C6H16N2/c1-3-9-7-5-6-8-10(9)11-4-2;1-2-3-4-5-6(7)8/h3-8,10H,1-2H3;6H,2-5,7-8H2,1H3/b9-3?,11-4+;
InChIKeyHBAGHTLDJHTWKL-RJOPALHJSA-N
MW263.43 g/mol
LogP3.33
Rot. Bonds5

About N-(6-ethylidenecyclohexa-2,4-dien-1-yl)ethanimine;hexane-1,1-diamine

N-(6-ethylidenecyclohexa-2,4-dien-1-yl)ethanimine;hexane-1,1-diamine (PubChem CID 70417806) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-(6-ethylidenecyclohexa-2,4-dien-1-yl)ethanimine;hexane-1,1-diamine.

Molecular Properties

Compound NameN-(6-ethylidenecyclohexa-2,4-dien-1-yl)ethanimine;hexane-1,1-diamine
PubChem CID70417806
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-(6-ethylidenecyclohexa-2,4-dien-1-yl)ethanimine;hexane-1,1-diamine
SMILESCC=C1C=CC=CC1/N=C/C.CCCCCC(N)N
InChIInChI=1S/C10H13N.C6H16N2/c1-3-9-7-5-6-8-10(9)11-4-2;1-2-3-4-5-6(7)8/h3-8,10H,1-2H3;6H,2-5,7-8H2,1H3/b9-3?,11-4+;
InChIKeyHBAGHTLDJHTWKL-RJOPALHJSA-N
XLogP3.33
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-ethylidenecyclohexa-2,4-dien-1-yl)ethanimine;hexane-1,1-diamine?
The IUPAC name of N-(6-ethylidenecyclohexa-2,4-dien-1-yl)ethanimine;hexane-1,1-diamine (CID 70417806) is N-(6-ethylidenecyclohexa-2,4-dien-1-yl)ethanimine;hexane-1,1-diamine.
What is the SMILES notation for N-(6-ethylidenecyclohexa-2,4-dien-1-yl)ethanimine;hexane-1,1-diamine?
The canonical SMILES for N-(6-ethylidenecyclohexa-2,4-dien-1-yl)ethanimine;hexane-1,1-diamine is CC=C1C=CC=CC1/N=C/C.CCCCCC(N)N.
What is the InChIKey of N-(6-ethylidenecyclohexa-2,4-dien-1-yl)ethanimine;hexane-1,1-diamine?
The InChIKey is HBAGHTLDJHTWKL-RJOPALHJSA-N. The full InChI is InChI=1S/C10H13N.C6H16N2/c1-3-9-7-5-6-8-10(9)11-4-2;1-2-3-4-5-6(7)8/h3-8,10H,1-2H3;6H,2-5,7-8H2,1H3/b9-3?,11-4+;.
What are the key properties of N-(6-ethylidenecyclohexa-2,4-dien-1-yl)ethanimine;hexane-1,1-diamine?
N-(6-ethylidenecyclohexa-2,4-dien-1-yl)ethanimine;hexane-1,1-diamine has a molecular weight of 263.43 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethylidenecyclohexa-2,4-dien-1-yl)ethanimine;hexane-1,1-diamine is sourced from PubChem (CID 70417806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).