(1E,5E)-2,5-diethyl-7-imino-3,3-dimethyl-4-propan-2-ylidenehepta-1,5-dien-1-amine

C16H28N2 — CID 156509234

IUPAC(1E,5E)-2,5-diethyl-7-imino-3,3-dimethyl-4-propan-2-ylidenehepta-1,5-dien-1-amine
SMILES[H]/N=C/C=C(\CC)C(=C(C)C)C(C)(C)/C(=C/N)CC
InChIInChI=1S/C16H28N2/c1-7-13(9-10-17)15(12(3)4)16(5,6)14(8-2)11-18/h9-11,17H,7-8,18H2,1-6H3/b13-9+,14-11+,17-10+
InChIKeyBXVCGXZBOOLTMF-QCOWLJFNSA-N
MW248.41 g/mol
LogP4.59
Rot. Bonds6

About (1E,5E)-2,5-diethyl-7-imino-3,3-dimethyl-4-propan-2-ylidenehepta-1,5-dien-1-amine

(1E,5E)-2,5-diethyl-7-imino-3,3-dimethyl-4-propan-2-ylidenehepta-1,5-dien-1-amine (PubChem CID 156509234) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is (1E,5E)-2,5-diethyl-7-imino-3,3-dimethyl-4-propan-2-ylidenehepta-1,5-dien-1-amine.

Molecular Properties

Compound Name(1E,5E)-2,5-diethyl-7-imino-3,3-dimethyl-4-propan-2-ylidenehepta-1,5-dien-1-amine
PubChem CID156509234
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name(1E,5E)-2,5-diethyl-7-imino-3,3-dimethyl-4-propan-2-ylidenehepta-1,5-dien-1-amine
SMILES[H]/N=C/C=C(\CC)C(=C(C)C)C(C)(C)/C(=C/N)CC
InChIInChI=1S/C16H28N2/c1-7-13(9-10-17)15(12(3)4)16(5,6)14(8-2)11-18/h9-11,17H,7-8,18H2,1-6H3/b13-9+,14-11+,17-10+
InChIKeyBXVCGXZBOOLTMF-QCOWLJFNSA-N
XLogP4.59
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.59
H-Bond Donors ≤ 52
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

3,7-Dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
CID 54391338
[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]azanium
CID 91799586
[(2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]azanium
CID 169452168
(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
CID 15279800
(2E,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
CID 60095916
(E)-4,4,6,6-tetramethyl-3-[(Z)-prop-1-enyl]hept-2-en-1-imine
CID 130387285
(2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dien-1-imine
CID 141777487
(2Z,4E,8E)-5-[(1Z)-buta-1,3-dienyl]-8-ethyl-6-[(3E)-3-ethylpenta-1,3-dien-2-yl]-12,12-dimethyltrideca-2,4,8-trien-1-imine
CID 143682431
(2Z,4E)-3,11-diethyl-4,6,6,9-tetramethyl-7-methylidenepentadeca-2,4-dien-1-imine
CID 146481462
(E)-N,3-bis(ethenyl)-4-methyl-4-propyloct-2-en-1-imine
CID 146575815
(2E,4Z)-6-methyl-3-(2,4,4-trimethylpentan-2-yl)octa-2,4-dien-1-imine
CID 156753805
3-[1-[(2E,4E)-4-tert-butylhexa-2,4-dien-2-yl]cyclopentyl]-2-methylidenebut-3-en-1-imine
CID 167041049

Frequently Asked Questions

What is the IUPAC name of (1E,5E)-2,5-diethyl-7-imino-3,3-dimethyl-4-propan-2-ylidenehepta-1,5-dien-1-amine?
The IUPAC name of (1E,5E)-2,5-diethyl-7-imino-3,3-dimethyl-4-propan-2-ylidenehepta-1,5-dien-1-amine (CID 156509234) is (1E,5E)-2,5-diethyl-7-imino-3,3-dimethyl-4-propan-2-ylidenehepta-1,5-dien-1-amine.
What is the SMILES notation for (1E,5E)-2,5-diethyl-7-imino-3,3-dimethyl-4-propan-2-ylidenehepta-1,5-dien-1-amine?
The canonical SMILES for (1E,5E)-2,5-diethyl-7-imino-3,3-dimethyl-4-propan-2-ylidenehepta-1,5-dien-1-amine is [H]/N=C/C=C(\CC)C(=C(C)C)C(C)(C)/C(=C/N)CC.
What is the InChIKey of (1E,5E)-2,5-diethyl-7-imino-3,3-dimethyl-4-propan-2-ylidenehepta-1,5-dien-1-amine?
The InChIKey is BXVCGXZBOOLTMF-QCOWLJFNSA-N. The full InChI is InChI=1S/C16H28N2/c1-7-13(9-10-17)15(12(3)4)16(5,6)14(8-2)11-18/h9-11,17H,7-8,18H2,1-6H3/b13-9+,14-11+,17-10+.
What are the key properties of (1E,5E)-2,5-diethyl-7-imino-3,3-dimethyl-4-propan-2-ylidenehepta-1,5-dien-1-amine?
(1E,5E)-2,5-diethyl-7-imino-3,3-dimethyl-4-propan-2-ylidenehepta-1,5-dien-1-amine has a molecular weight of 248.41 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,5E)-2,5-diethyl-7-imino-3,3-dimethyl-4-propan-2-ylidenehepta-1,5-dien-1-amine is sourced from PubChem (CID 156509234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).