(4E)-N-ethyl-7-imino-4-methyl-N-propylocta-2,4-dien-3-amine

C14H26N2 — CID 123197646

IUPAC(4E)-N-ethyl-7-imino-4-methyl-N-propylocta-2,4-dien-3-amine
SMILES[H]/N=C(\C)C/C=C(\C)C(=CC)N(CC)CCC
InChIInChI=1S/C14H26N2/c1-6-11-16(8-3)14(7-2)12(4)9-10-13(5)15/h7,9,15H,6,8,10-11H2,1-5H3/b12-9+,14-7?,15-13+
InChIKeyVRAOMHUMSSMABQ-NUQMMRGMSA-N
MW222.38 g/mol
LogP4.00
Rot. Bonds7

About (4E)-N-ethyl-7-imino-4-methyl-N-propylocta-2,4-dien-3-amine

(4E)-N-ethyl-7-imino-4-methyl-N-propylocta-2,4-dien-3-amine (PubChem CID 123197646) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is (4E)-N-ethyl-7-imino-4-methyl-N-propylocta-2,4-dien-3-amine.

Molecular Properties

Compound Name(4E)-N-ethyl-7-imino-4-methyl-N-propylocta-2,4-dien-3-amine
PubChem CID123197646
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name(4E)-N-ethyl-7-imino-4-methyl-N-propylocta-2,4-dien-3-amine
SMILES[H]/N=C(\C)C/C=C(\C)C(=CC)N(CC)CCC
InChIInChI=1S/C14H26N2/c1-6-11-16(8-3)14(7-2)12(4)9-10-13(5)15/h7,9,15H,6,8,10-11H2,1-5H3/b12-9+,14-7?,15-13+
InChIKeyVRAOMHUMSSMABQ-NUQMMRGMSA-N
XLogP4.00
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 54.00
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

4-diazo-N,N-diethyl-5-methylcyclohexa-1,5-dien-1-amine
CID 19805268
4-diazo-N,N-diethyl-6-methylcyclohexa-1,5-dien-1-amine
CID 54045951
(3E)-N-(2-iminopropyl)-N,3-dimethyl-5-methylidenehepta-1,3-dien-2-amine
CID 88556027
1-(2-Ethylidene-1,6-dimethyl-4-pyridinyl)ethanimine
CID 91121995
(3Z)-N-ethyl-5-methyl-3-[1-(propan-2-ylideneamino)ethenyl]hexa-3,5-dien-1-amine
CID 91426030
N,3-dimethyl-5-methylidene-N-(2-methyliminopropyl)hepta-1,3-dien-2-amine
CID 123335275
3-ethenyl-6-imino-N,N-dimethyloct-3-en-2-amine
CID 123750276
(3Z,5Z)-2-imino-4-N-methyl-4-N-(2-methylpropyl)hepta-3,5-diene-3,4-diamine
CID 126599359
(2E,4Z)-1-imino-N,4,7-trimethyl-N-[(3E)-2-methylpenta-1,3-dien-3-yl]octa-2,4,7-trien-3-amine
CID 132044174
(3E,5Z)-5-[C-methyl-N-(2-methylprop-2-enyl)carbonimidoyl]hepta-3,5-dien-3-amine
CID 134389750
(2E,4Z)-5-ethenyl-N-methyl-7-methylimino-N-propylocta-2,4-dien-2-amine
CID 137446331
(Z,2Z,3E)-N-but-1-en-2-yl-3-ethylidene-6-imino-N-methyl-2-propylidenehept-4-en-1-amine
CID 139504048

Frequently Asked Questions

What is the IUPAC name of (4E)-N-ethyl-7-imino-4-methyl-N-propylocta-2,4-dien-3-amine?
The IUPAC name of (4E)-N-ethyl-7-imino-4-methyl-N-propylocta-2,4-dien-3-amine (CID 123197646) is (4E)-N-ethyl-7-imino-4-methyl-N-propylocta-2,4-dien-3-amine.
What is the SMILES notation for (4E)-N-ethyl-7-imino-4-methyl-N-propylocta-2,4-dien-3-amine?
The canonical SMILES for (4E)-N-ethyl-7-imino-4-methyl-N-propylocta-2,4-dien-3-amine is [H]/N=C(\C)C/C=C(\C)C(=CC)N(CC)CCC.
What is the InChIKey of (4E)-N-ethyl-7-imino-4-methyl-N-propylocta-2,4-dien-3-amine?
The InChIKey is VRAOMHUMSSMABQ-NUQMMRGMSA-N. The full InChI is InChI=1S/C14H26N2/c1-6-11-16(8-3)14(7-2)12(4)9-10-13(5)15/h7,9,15H,6,8,10-11H2,1-5H3/b12-9+,14-7?,15-13+.
What are the key properties of (4E)-N-ethyl-7-imino-4-methyl-N-propylocta-2,4-dien-3-amine?
(4E)-N-ethyl-7-imino-4-methyl-N-propylocta-2,4-dien-3-amine has a molecular weight of 222.38 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-N-ethyl-7-imino-4-methyl-N-propylocta-2,4-dien-3-amine is sourced from PubChem (CID 123197646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).