(E)-1-N,1-N'-dimethylpent-2-ene-1,1-diamine

C7H16N2 — CID 87846955

IUPAC(E)-1-N,1-N'-dimethylpent-2-ene-1,1-diamine
SMILESCC/C=C/C(NC)NC
InChIInChI=1S/C7H16N2/c1-4-5-6-7(8-2)9-3/h5-9H,4H2,1-3H3/b6-5+
InChIKeyVNGIJNORWACOMM-AATRIKPKSA-N
MW128.22 g/mol
LogP0.72
Rot. Bonds4

About (E)-1-N,1-N'-dimethylpent-2-ene-1,1-diamine

(E)-1-N,1-N'-dimethylpent-2-ene-1,1-diamine (PubChem CID 87846955) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is (E)-1-N,1-N'-dimethylpent-2-ene-1,1-diamine.

Molecular Properties

Compound Name(E)-1-N,1-N'-dimethylpent-2-ene-1,1-diamine
PubChem CID87846955
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name(E)-1-N,1-N'-dimethylpent-2-ene-1,1-diamine
SMILESCC/C=C/C(NC)NC
InChIInChI=1S/C7H16N2/c1-4-5-6-7(8-2)9-3/h5-9H,4H2,1-3H3/b6-5+
InChIKeyVNGIJNORWACOMM-AATRIKPKSA-N
XLogP0.72
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-N,1-N'-dimethylpent-2-ene-1,1-diamine?
The IUPAC name of (E)-1-N,1-N'-dimethylpent-2-ene-1,1-diamine (CID 87846955) is (E)-1-N,1-N'-dimethylpent-2-ene-1,1-diamine.
What is the SMILES notation for (E)-1-N,1-N'-dimethylpent-2-ene-1,1-diamine?
The canonical SMILES for (E)-1-N,1-N'-dimethylpent-2-ene-1,1-diamine is CC/C=C/C(NC)NC.
What is the InChIKey of (E)-1-N,1-N'-dimethylpent-2-ene-1,1-diamine?
The InChIKey is VNGIJNORWACOMM-AATRIKPKSA-N. The full InChI is InChI=1S/C7H16N2/c1-4-5-6-7(8-2)9-3/h5-9H,4H2,1-3H3/b6-5+.
What are the key properties of (E)-1-N,1-N'-dimethylpent-2-ene-1,1-diamine?
(E)-1-N,1-N'-dimethylpent-2-ene-1,1-diamine has a molecular weight of 128.22 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-N,1-N'-dimethylpent-2-ene-1,1-diamine is sourced from PubChem (CID 87846955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).