(E)-3-N-ethyl-2-N-methylhept-3-ene-2,3-diamine

C10H22N2 — CID 88918584

IUPAC(E)-3-N-ethyl-2-N-methylhept-3-ene-2,3-diamine
SMILESCCC/C=C(/NCC)C(C)NC
InChIInChI=1S/C10H22N2/c1-5-7-8-10(12-6-2)9(3)11-4/h8-9,11-12H,5-7H2,1-4H3/b10-8+
InChIKeyMPLLPZKCOVZHPS-CSKARUKUSA-N
MW170.30 g/mol
LogP1.89
Rot. Bonds6

About (E)-3-N-ethyl-2-N-methylhept-3-ene-2,3-diamine

(E)-3-N-ethyl-2-N-methylhept-3-ene-2,3-diamine (PubChem CID 88918584) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is (E)-3-N-ethyl-2-N-methylhept-3-ene-2,3-diamine.

Molecular Properties

Compound Name(E)-3-N-ethyl-2-N-methylhept-3-ene-2,3-diamine
PubChem CID88918584
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name(E)-3-N-ethyl-2-N-methylhept-3-ene-2,3-diamine
SMILESCCC/C=C(/NCC)C(C)NC
InChIInChI=1S/C10H22N2/c1-5-7-8-10(12-6-2)9(3)11-4/h8-9,11-12H,5-7H2,1-4H3/b10-8+
InChIKeyMPLLPZKCOVZHPS-CSKARUKUSA-N
XLogP1.89
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3-N-ethyl-2-N-methylhept-3-ene-2,3-diamine?
The IUPAC name of (E)-3-N-ethyl-2-N-methylhept-3-ene-2,3-diamine (CID 88918584) is (E)-3-N-ethyl-2-N-methylhept-3-ene-2,3-diamine.
What is the SMILES notation for (E)-3-N-ethyl-2-N-methylhept-3-ene-2,3-diamine?
The canonical SMILES for (E)-3-N-ethyl-2-N-methylhept-3-ene-2,3-diamine is CCC/C=C(/NCC)C(C)NC.
What is the InChIKey of (E)-3-N-ethyl-2-N-methylhept-3-ene-2,3-diamine?
The InChIKey is MPLLPZKCOVZHPS-CSKARUKUSA-N. The full InChI is InChI=1S/C10H22N2/c1-5-7-8-10(12-6-2)9(3)11-4/h8-9,11-12H,5-7H2,1-4H3/b10-8+.
What are the key properties of (E)-3-N-ethyl-2-N-methylhept-3-ene-2,3-diamine?
(E)-3-N-ethyl-2-N-methylhept-3-ene-2,3-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-N-ethyl-2-N-methylhept-3-ene-2,3-diamine is sourced from PubChem (CID 88918584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).