N-ethyl-N'-pent-1-en-2-ylmethanediamine

C8H18N2 — CID 129042548

IUPACN-ethyl-N'-pent-1-en-2-ylmethanediamine
SMILESC=C(CCC)NCNCC
InChIInChI=1S/C8H18N2/c1-4-6-8(3)10-7-9-5-2/h9-10H,3-7H2,1-2H3
InChIKeyQSOGNGWSPWEJOU-UHFFFAOYSA-N
MW142.25 g/mol
LogP1.46
Rot. Bonds6

About N-ethyl-N'-pent-1-en-2-ylmethanediamine

N-ethyl-N'-pent-1-en-2-ylmethanediamine (PubChem CID 129042548) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is N-ethyl-N'-pent-1-en-2-ylmethanediamine.

Molecular Properties

Compound NameN-ethyl-N'-pent-1-en-2-ylmethanediamine
PubChem CID129042548
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC NameN-ethyl-N'-pent-1-en-2-ylmethanediamine
SMILESC=C(CCC)NCNCC
InChIInChI=1S/C8H18N2/c1-4-6-8(3)10-7-9-5-2/h9-10H,3-7H2,1-2H3
InChIKeyQSOGNGWSPWEJOU-UHFFFAOYSA-N
XLogP1.46
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-pent-1-en-2-ylmethanediamine?
The IUPAC name of N-ethyl-N'-pent-1-en-2-ylmethanediamine (CID 129042548) is N-ethyl-N'-pent-1-en-2-ylmethanediamine.
What is the SMILES notation for N-ethyl-N'-pent-1-en-2-ylmethanediamine?
The canonical SMILES for N-ethyl-N'-pent-1-en-2-ylmethanediamine is C=C(CCC)NCNCC.
What is the InChIKey of N-ethyl-N'-pent-1-en-2-ylmethanediamine?
The InChIKey is QSOGNGWSPWEJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-4-6-8(3)10-7-9-5-2/h9-10H,3-7H2,1-2H3.
What are the key properties of N-ethyl-N'-pent-1-en-2-ylmethanediamine?
N-ethyl-N'-pent-1-en-2-ylmethanediamine has a molecular weight of 142.25 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-pent-1-en-2-ylmethanediamine is sourced from PubChem (CID 129042548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).