(4E)-N-ethyl-N,3-dimethyl-4-[(propan-2-ylideneamino)methylidene]hexan-1-amine

C14H28N2 — CID 163511107

IUPAC(4E)-N-ethyl-N,3-dimethyl-4-[(propan-2-ylideneamino)methylidene]hexan-1-amine
SMILESCC/C(=C\N=C(C)C)C(C)CCN(C)CC
InChIInChI=1S/C14H28N2/c1-7-14(11-15-12(3)4)13(5)9-10-16(6)8-2/h11,13H,7-10H2,1-6H3/b14-11+
InChIKeyDCTUSHVTJVZPMJ-SDNWHVSQSA-N
MW224.39 g/mol
LogP3.74
Rot. Bonds7

About (4E)-N-ethyl-N,3-dimethyl-4-[(propan-2-ylideneamino)methylidene]hexan-1-amine

(4E)-N-ethyl-N,3-dimethyl-4-[(propan-2-ylideneamino)methylidene]hexan-1-amine (PubChem CID 163511107) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is (4E)-N-ethyl-N,3-dimethyl-4-[(propan-2-ylideneamino)methylidene]hexan-1-amine.

Molecular Properties

Compound Name(4E)-N-ethyl-N,3-dimethyl-4-[(propan-2-ylideneamino)methylidene]hexan-1-amine
PubChem CID163511107
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name(4E)-N-ethyl-N,3-dimethyl-4-[(propan-2-ylideneamino)methylidene]hexan-1-amine
SMILESCC/C(=C\N=C(C)C)C(C)CCN(C)CC
InChIInChI=1S/C14H28N2/c1-7-14(11-15-12(3)4)13(5)9-10-16(6)8-2/h11,13H,7-10H2,1-6H3/b14-11+
InChIKeyDCTUSHVTJVZPMJ-SDNWHVSQSA-N
XLogP3.74
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,5-diethyl-N-methyl-2,4-dihydropyridin-3-imine
CID 56617025
1,5-dimethyl-N-(2-methylpropyl)-2,4-dihydropyridin-3-imine
CID 56636914
1,5-diethyl-N-propan-2-yl-2,4-dihydropyridin-3-imine
CID 57052285
1-(5-ethyl-6,7-dimethyl-2-methylidene-4,5-dihydro-3H-azepin-1-yl)propan-2-ylidene-dimethylazanium
CID 123274994
N-ethenyl-3-(1-methylidenepiperidin-1-ium-4-yl)but-3-en-2-imine
CID 123789135
5-Methyl-2-(1-methylpiperidin-4-yl)-3,4-dihydropyridine
CID 163518118
N-[(1Z)-3-methyl-2-propan-2-ylbuta-1,3-dienyl]-1-pyrrolidin-1-ylpropan-2-imine
CID 144391841

Frequently Asked Questions

What is the IUPAC name of (4E)-N-ethyl-N,3-dimethyl-4-[(propan-2-ylideneamino)methylidene]hexan-1-amine?
The IUPAC name of (4E)-N-ethyl-N,3-dimethyl-4-[(propan-2-ylideneamino)methylidene]hexan-1-amine (CID 163511107) is (4E)-N-ethyl-N,3-dimethyl-4-[(propan-2-ylideneamino)methylidene]hexan-1-amine.
What is the SMILES notation for (4E)-N-ethyl-N,3-dimethyl-4-[(propan-2-ylideneamino)methylidene]hexan-1-amine?
The canonical SMILES for (4E)-N-ethyl-N,3-dimethyl-4-[(propan-2-ylideneamino)methylidene]hexan-1-amine is CC/C(=C\N=C(C)C)C(C)CCN(C)CC.
What is the InChIKey of (4E)-N-ethyl-N,3-dimethyl-4-[(propan-2-ylideneamino)methylidene]hexan-1-amine?
The InChIKey is DCTUSHVTJVZPMJ-SDNWHVSQSA-N. The full InChI is InChI=1S/C14H28N2/c1-7-14(11-15-12(3)4)13(5)9-10-16(6)8-2/h11,13H,7-10H2,1-6H3/b14-11+.
What are the key properties of (4E)-N-ethyl-N,3-dimethyl-4-[(propan-2-ylideneamino)methylidene]hexan-1-amine?
(4E)-N-ethyl-N,3-dimethyl-4-[(propan-2-ylideneamino)methylidene]hexan-1-amine has a molecular weight of 224.39 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-N-ethyl-N,3-dimethyl-4-[(propan-2-ylideneamino)methylidene]hexan-1-amine is sourced from PubChem (CID 163511107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).