N-(ethylideneamino)-N,6-dimethylhepta-1,4,6-trien-3-amine

C11H18N2 — CID 123619306

IUPACN-(ethylideneamino)-N,6-dimethylhepta-1,4,6-trien-3-amine
SMILESC=CC(C=CC(=C)C)N(C)N=CC
InChIInChI=1S/C11H18N2/c1-6-11(9-8-10(3)4)13(5)12-7-2/h6-9,11H,1,3H2,2,4-5H3
InChIKeyIVFRMBCHFXMAGC-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.61
Rot. Bonds5

About N-(ethylideneamino)-N,6-dimethylhepta-1,4,6-trien-3-amine

N-(ethylideneamino)-N,6-dimethylhepta-1,4,6-trien-3-amine (PubChem CID 123619306) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N-(ethylideneamino)-N,6-dimethylhepta-1,4,6-trien-3-amine.

Molecular Properties

Compound NameN-(ethylideneamino)-N,6-dimethylhepta-1,4,6-trien-3-amine
PubChem CID123619306
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN-(ethylideneamino)-N,6-dimethylhepta-1,4,6-trien-3-amine
SMILESC=CC(C=CC(=C)C)N(C)N=CC
InChIInChI=1S/C11H18N2/c1-6-11(9-8-10(3)4)13(5)12-7-2/h6-9,11H,1,3H2,2,4-5H3
InChIKeyIVFRMBCHFXMAGC-UHFFFAOYSA-N
XLogP2.61
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-6-propan-2-yl-3a,7a-dihydroindazole
CID 89667471
N-methyl-N-(3-methylnona-3,5-dien-2-ylideneamino)propan-2-amine
CID 123449552
N-(ethylideneamino)-N,3-dimethylhex-3-en-2-amine
CID 123740794
5-methylidene-N-propan-2-yl-N-(propan-2-ylideneamino)hepta-1,3,6-trien-2-amine
CID 123831923
(4Z,5Z)-5-ethylidene-N-[(Z)-ethylideneamino]-N-methyl-4-prop-2-enylidenecyclohex-2-en-1-amine
CID 130316176
(2Z,4Z)-N-ethenyl-N-[(Z)-ethylideneamino]hepta-2,4-dien-4-amine;2-methylpropane
CID 142875403
2-butyl-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3,4-dihydropyrazole
CID 143778931
ethane;(Z)-N-(2-methyl-2H-pyridin-1-yl)ethanimine
CID 144281035
(Z)-N-(4,6-dimethyl-3,6-dihydro-2H-pyridin-1-yl)ethanimine;ethane
CID 144599794
(2E,4Z,7Z)-N-ethenyl-7-ethyl-N-[(Z)-ethylideneamino]nona-2,4,7-trien-3-amine
CID 146587969
6,6-Dimethyl-1-propan-2-ylpyridazine
CID 149468879
(2E,4Z)-N-[(Z)-ethylideneamino]-N,5-dimethylhepta-2,4-dien-2-amine
CID 156238475

Frequently Asked Questions

What is the IUPAC name of N-(ethylideneamino)-N,6-dimethylhepta-1,4,6-trien-3-amine?
The IUPAC name of N-(ethylideneamino)-N,6-dimethylhepta-1,4,6-trien-3-amine (CID 123619306) is N-(ethylideneamino)-N,6-dimethylhepta-1,4,6-trien-3-amine.
What is the SMILES notation for N-(ethylideneamino)-N,6-dimethylhepta-1,4,6-trien-3-amine?
The canonical SMILES for N-(ethylideneamino)-N,6-dimethylhepta-1,4,6-trien-3-amine is C=CC(C=CC(=C)C)N(C)N=CC.
What is the InChIKey of N-(ethylideneamino)-N,6-dimethylhepta-1,4,6-trien-3-amine?
The InChIKey is IVFRMBCHFXMAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-6-11(9-8-10(3)4)13(5)12-7-2/h6-9,11H,1,3H2,2,4-5H3.
What are the key properties of N-(ethylideneamino)-N,6-dimethylhepta-1,4,6-trien-3-amine?
N-(ethylideneamino)-N,6-dimethylhepta-1,4,6-trien-3-amine has a molecular weight of 178.28 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylideneamino)-N,6-dimethylhepta-1,4,6-trien-3-amine is sourced from PubChem (CID 123619306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).