(E)-3-methyl-2-N-prop-1-en-2-ylpent-2-ene-1,2-diamine

C9H18N2 — CID 134469011

IUPAC(E)-3-methyl-2-N-prop-1-en-2-ylpent-2-ene-1,2-diamine
SMILESC=C(C)N/C(CN)=C(\C)CC
InChIInChI=1S/C9H18N2/c1-5-8(4)9(6-10)11-7(2)3/h11H,2,5-6,10H2,1,3-4H3/b9-8+
InChIKeyOPUBMEUWSSOCGI-CMDGGOBGSA-N
MW154.26 g/mol
LogP1.75
Rot. Bonds4

About (E)-3-methyl-2-N-prop-1-en-2-ylpent-2-ene-1,2-diamine

(E)-3-methyl-2-N-prop-1-en-2-ylpent-2-ene-1,2-diamine (PubChem CID 134469011) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (E)-3-methyl-2-N-prop-1-en-2-ylpent-2-ene-1,2-diamine.

Molecular Properties

Compound Name(E)-3-methyl-2-N-prop-1-en-2-ylpent-2-ene-1,2-diamine
PubChem CID134469011
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(E)-3-methyl-2-N-prop-1-en-2-ylpent-2-ene-1,2-diamine
SMILESC=C(C)N/C(CN)=C(\C)CC
InChIInChI=1S/C9H18N2/c1-5-8(4)9(6-10)11-7(2)3/h11H,2,5-6,10H2,1,3-4H3/b9-8+
InChIKeyOPUBMEUWSSOCGI-CMDGGOBGSA-N
XLogP1.75
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-2-N-prop-1-en-2-ylpent-2-ene-1,2-diamine?
The IUPAC name of (E)-3-methyl-2-N-prop-1-en-2-ylpent-2-ene-1,2-diamine (CID 134469011) is (E)-3-methyl-2-N-prop-1-en-2-ylpent-2-ene-1,2-diamine.
What is the SMILES notation for (E)-3-methyl-2-N-prop-1-en-2-ylpent-2-ene-1,2-diamine?
The canonical SMILES for (E)-3-methyl-2-N-prop-1-en-2-ylpent-2-ene-1,2-diamine is C=C(C)N/C(CN)=C(\C)CC.
What is the InChIKey of (E)-3-methyl-2-N-prop-1-en-2-ylpent-2-ene-1,2-diamine?
The InChIKey is OPUBMEUWSSOCGI-CMDGGOBGSA-N. The full InChI is InChI=1S/C9H18N2/c1-5-8(4)9(6-10)11-7(2)3/h11H,2,5-6,10H2,1,3-4H3/b9-8+.
What are the key properties of (E)-3-methyl-2-N-prop-1-en-2-ylpent-2-ene-1,2-diamine?
(E)-3-methyl-2-N-prop-1-en-2-ylpent-2-ene-1,2-diamine has a molecular weight of 154.26 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-2-N-prop-1-en-2-ylpent-2-ene-1,2-diamine is sourced from PubChem (CID 134469011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).