N-ethyl-5-ethylimino-2-methylpenta-1,3-dien-3-amine

C10H18N2 — CID 174063213

IUPACN-ethyl-5-ethylimino-2-methylpenta-1,3-dien-3-amine
SMILESC=C(C)C(=C/C=N/CC)NCC
InChIInChI=1S/C10H18N2/c1-5-11-8-7-10(9(3)4)12-6-2/h7-8,12H,3,5-6H2,1-2,4H3/b10-7?,11-8+
InChIKeyUHXPWJDSXLCXHX-WEUQBPLZSA-N
MW166.27 g/mol
LogP2.15
Rot. Bonds5

About N-ethyl-5-ethylimino-2-methylpenta-1,3-dien-3-amine

N-ethyl-5-ethylimino-2-methylpenta-1,3-dien-3-amine (PubChem CID 174063213) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N-ethyl-5-ethylimino-2-methylpenta-1,3-dien-3-amine.

Molecular Properties

Compound NameN-ethyl-5-ethylimino-2-methylpenta-1,3-dien-3-amine
PubChem CID174063213
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN-ethyl-5-ethylimino-2-methylpenta-1,3-dien-3-amine
SMILESC=C(C)C(=C/C=N/CC)NCC
InChIInChI=1S/C10H18N2/c1-5-11-8-7-10(9(3)4)12-6-2/h7-8,12H,3,5-6H2,1-2,4H3/b10-7?,11-8+
InChIKeyUHXPWJDSXLCXHX-WEUQBPLZSA-N
XLogP2.15
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-(2-methylpropyl)-4-(2-methylpropylimino)pent-2-en-2-amine
CID 49804015
(4E,6E)-N-[(2E,3E)-2-ethylidene-4-[(2-methylprop-2-enylideneamino)methyl]hexa-3,5-dienyl]-7-fluoro-3,6-dimethylnona-1,4,6,8-tetraen-4-amine
CID 134187539
(2E,4E)-N-[(1E,3Z)-2-ethenyl-5-methyliminopenta-1,3-dienyl]-4-fluorohepta-2,4,6-trien-2-amine
CID 138713182
(2Z,4E)-3-(ethylideneamino)-4-fluoro-N-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine
CID 170047278
(3E,5Z)-N,N-diethyl-5-[6-[(2R)-2-fluoro-2H-pyridin-5-ylidene]-1,2-dihydropyridin-3-ylidene]penta-1,3-dien-3-amine
CID 173518248
(1E,3E)-1-(ethylideneamino)-2-methyl-N-(2,2,2-trifluoroethyl)hexa-1,3-dien-3-amine
CID 173699246
N'-[4-(fluoromethyl)-2,7-dihydroazocin-5-yl]-N,N'-dimethylpropane-1,3-diamine
CID 174194532
10-methyl-9-methylidene-8H-pyrrolo[2,3-d]azonine
CID 91195157
(6Z)-1H-Pyrrolo[2,3-d]azocine
CID 121232937
(Z)-4-methylimino-N-(2-methylpropyl)pent-2-en-2-amine
CID 11309750
4-methylimino-N-(2-methylpropyl)pent-2-en-2-amine
CID 53435576
N,4-dimethyl-10-methyliminoundeca-2,4,6,8-tetraen-2-amine
CID 53962751

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-ethylimino-2-methylpenta-1,3-dien-3-amine?
The IUPAC name of N-ethyl-5-ethylimino-2-methylpenta-1,3-dien-3-amine (CID 174063213) is N-ethyl-5-ethylimino-2-methylpenta-1,3-dien-3-amine.
What is the SMILES notation for N-ethyl-5-ethylimino-2-methylpenta-1,3-dien-3-amine?
The canonical SMILES for N-ethyl-5-ethylimino-2-methylpenta-1,3-dien-3-amine is C=C(C)C(=C/C=N/CC)NCC.
What is the InChIKey of N-ethyl-5-ethylimino-2-methylpenta-1,3-dien-3-amine?
The InChIKey is UHXPWJDSXLCXHX-WEUQBPLZSA-N. The full InChI is InChI=1S/C10H18N2/c1-5-11-8-7-10(9(3)4)12-6-2/h7-8,12H,3,5-6H2,1-2,4H3/b10-7?,11-8+.
What are the key properties of N-ethyl-5-ethylimino-2-methylpenta-1,3-dien-3-amine?
N-ethyl-5-ethylimino-2-methylpenta-1,3-dien-3-amine has a molecular weight of 166.27 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-ethylimino-2-methylpenta-1,3-dien-3-amine is sourced from PubChem (CID 174063213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).