(2E)-N-ethyl-2-ethylidene-3-imino-N-methylheptan-1-amine

C12H24N2 — CID 172567560

IUPAC(2E)-N-ethyl-2-ethylidene-3-imino-N-methylheptan-1-amine
SMILES[H]/N=C(CCCC)/C(=C/C)CN(C)CC
InChIInChI=1S/C12H24N2/c1-5-8-9-12(13)11(6-2)10-14(4)7-3/h6,13H,5,7-10H2,1-4H3/b11-6+,13-12+
InChIKeyJEFROPFRYARJIX-BPLLCVTGSA-N
MW196.34 g/mol
LogP3.09
Rot. Bonds7

About (2E)-N-ethyl-2-ethylidene-3-imino-N-methylheptan-1-amine

(2E)-N-ethyl-2-ethylidene-3-imino-N-methylheptan-1-amine (PubChem CID 172567560) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is (2E)-N-ethyl-2-ethylidene-3-imino-N-methylheptan-1-amine.

Molecular Properties

Compound Name(2E)-N-ethyl-2-ethylidene-3-imino-N-methylheptan-1-amine
PubChem CID172567560
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name(2E)-N-ethyl-2-ethylidene-3-imino-N-methylheptan-1-amine
SMILES[H]/N=C(CCCC)/C(=C/C)CN(C)CC
InChIInChI=1S/C12H24N2/c1-5-8-9-12(13)11(6-2)10-14(4)7-3/h6,13H,5,7-10H2,1-4H3/b11-6+,13-12+
InChIKeyJEFROPFRYARJIX-BPLLCVTGSA-N
XLogP3.09
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-N-ethyl-2-ethylidene-3-imino-N-methylheptan-1-amine?
The IUPAC name of (2E)-N-ethyl-2-ethylidene-3-imino-N-methylheptan-1-amine (CID 172567560) is (2E)-N-ethyl-2-ethylidene-3-imino-N-methylheptan-1-amine.
What is the SMILES notation for (2E)-N-ethyl-2-ethylidene-3-imino-N-methylheptan-1-amine?
The canonical SMILES for (2E)-N-ethyl-2-ethylidene-3-imino-N-methylheptan-1-amine is [H]/N=C(CCCC)/C(=C/C)CN(C)CC.
What is the InChIKey of (2E)-N-ethyl-2-ethylidene-3-imino-N-methylheptan-1-amine?
The InChIKey is JEFROPFRYARJIX-BPLLCVTGSA-N. The full InChI is InChI=1S/C12H24N2/c1-5-8-9-12(13)11(6-2)10-14(4)7-3/h6,13H,5,7-10H2,1-4H3/b11-6+,13-12+.
What are the key properties of (2E)-N-ethyl-2-ethylidene-3-imino-N-methylheptan-1-amine?
(2E)-N-ethyl-2-ethylidene-3-imino-N-methylheptan-1-amine has a molecular weight of 196.34 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-ethyl-2-ethylidene-3-imino-N-methylheptan-1-amine is sourced from PubChem (CID 172567560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).