1-N'-(4-methylpentyl)ethene-1,1-diamine

C8H18N2 — CID 18722196

IUPAC1-N'-(4-methylpentyl)ethene-1,1-diamine
SMILESC=C(N)NCCCC(C)C
InChIInChI=1S/C8H18N2/c1-7(2)5-4-6-10-8(3)9/h7,10H,3-6,9H2,1-2H3
InChIKeyKAOTXTXLJRSUTC-UHFFFAOYSA-N
MW142.25 g/mol
LogP1.44
Rot. Bonds5

About 1-N'-(4-methylpentyl)ethene-1,1-diamine

1-N'-(4-methylpentyl)ethene-1,1-diamine (PubChem CID 18722196) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 1-N'-(4-methylpentyl)ethene-1,1-diamine.

Molecular Properties

Compound Name1-N'-(4-methylpentyl)ethene-1,1-diamine
PubChem CID18722196
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name1-N'-(4-methylpentyl)ethene-1,1-diamine
SMILESC=C(N)NCCCC(C)C
InChIInChI=1S/C8H18N2/c1-7(2)5-4-6-10-8(3)9/h7,10H,3-6,9H2,1-2H3
InChIKeyKAOTXTXLJRSUTC-UHFFFAOYSA-N
XLogP1.44
TPSA38.05 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 ≤ 51.44
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 1-N'-(4-methylpentyl)ethene-1,1-diamine?
The IUPAC name of 1-N'-(4-methylpentyl)ethene-1,1-diamine (CID 18722196) is 1-N'-(4-methylpentyl)ethene-1,1-diamine.
What is the SMILES notation for 1-N'-(4-methylpentyl)ethene-1,1-diamine?
The canonical SMILES for 1-N'-(4-methylpentyl)ethene-1,1-diamine is C=C(N)NCCCC(C)C.
What is the InChIKey of 1-N'-(4-methylpentyl)ethene-1,1-diamine?
The InChIKey is KAOTXTXLJRSUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-7(2)5-4-6-10-8(3)9/h7,10H,3-6,9H2,1-2H3.
What are the key properties of 1-N'-(4-methylpentyl)ethene-1,1-diamine?
1-N'-(4-methylpentyl)ethene-1,1-diamine has a molecular weight of 142.25 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(4-methylpentyl)ethene-1,1-diamine is sourced from PubChem (CID 18722196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).