(E)-2-N-methyl-1-N-propylbut-1-ene-1,2-diamine

C8H18N2 — CID 170238799

IUPAC(E)-2-N-methyl-1-N-propylbut-1-ene-1,2-diamine
SMILESCCCN/C=C(\CC)NC
InChIInChI=1S/C8H18N2/c1-4-6-10-7-8(5-2)9-3/h7,9-10H,4-6H2,1-3H3/b8-7+
InChIKeyXDUIKFAOXGZDBI-BQYQJAHWSA-N
MW142.25 g/mol
LogP1.46
Rot. Bonds5

About (E)-2-N-methyl-1-N-propylbut-1-ene-1,2-diamine

(E)-2-N-methyl-1-N-propylbut-1-ene-1,2-diamine (PubChem CID 170238799) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is (E)-2-N-methyl-1-N-propylbut-1-ene-1,2-diamine.

Molecular Properties

Compound Name(E)-2-N-methyl-1-N-propylbut-1-ene-1,2-diamine
PubChem CID170238799
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name(E)-2-N-methyl-1-N-propylbut-1-ene-1,2-diamine
SMILESCCCN/C=C(\CC)NC
InChIInChI=1S/C8H18N2/c1-4-6-10-7-8(5-2)9-3/h7,9-10H,4-6H2,1-3H3/b8-7+
InChIKeyXDUIKFAOXGZDBI-BQYQJAHWSA-N
XLogP1.46
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-N-methyl-1-N-propylbut-1-ene-1,2-diamine?
The IUPAC name of (E)-2-N-methyl-1-N-propylbut-1-ene-1,2-diamine (CID 170238799) is (E)-2-N-methyl-1-N-propylbut-1-ene-1,2-diamine.
What is the SMILES notation for (E)-2-N-methyl-1-N-propylbut-1-ene-1,2-diamine?
The canonical SMILES for (E)-2-N-methyl-1-N-propylbut-1-ene-1,2-diamine is CCCN/C=C(\CC)NC.
What is the InChIKey of (E)-2-N-methyl-1-N-propylbut-1-ene-1,2-diamine?
The InChIKey is XDUIKFAOXGZDBI-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H18N2/c1-4-6-10-7-8(5-2)9-3/h7,9-10H,4-6H2,1-3H3/b8-7+.
What are the key properties of (E)-2-N-methyl-1-N-propylbut-1-ene-1,2-diamine?
(E)-2-N-methyl-1-N-propylbut-1-ene-1,2-diamine has a molecular weight of 142.25 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-N-methyl-1-N-propylbut-1-ene-1,2-diamine is sourced from PubChem (CID 170238799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).