N'-(2-ethenylpentyl)-N'-methylethane-1,2-diamine

C10H22N2 — CID 126691381

IUPACN'-(2-ethenylpentyl)-N'-methylethane-1,2-diamine
SMILESC=CC(CCC)CN(C)CCN
InChIInChI=1S/C10H22N2/c1-4-6-10(5-2)9-12(3)8-7-11/h5,10H,2,4,6-9,11H2,1,3H3
InChIKeyRISMBBFDGYOUCX-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.48
Rot. Bonds7

About N'-(2-ethenylpentyl)-N'-methylethane-1,2-diamine

N'-(2-ethenylpentyl)-N'-methylethane-1,2-diamine (PubChem CID 126691381) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is N'-(2-ethenylpentyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-ethenylpentyl)-N'-methylethane-1,2-diamine
PubChem CID126691381
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC NameN'-(2-ethenylpentyl)-N'-methylethane-1,2-diamine
SMILESC=CC(CCC)CN(C)CCN
InChIInChI=1S/C10H22N2/c1-4-6-10(5-2)9-12(3)8-7-11/h5,10H,2,4,6-9,11H2,1,3H3
InChIKeyRISMBBFDGYOUCX-UHFFFAOYSA-N
XLogP1.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-ethenylpentyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(2-ethenylpentyl)-N'-methylethane-1,2-diamine (CID 126691381) is N'-(2-ethenylpentyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(2-ethenylpentyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(2-ethenylpentyl)-N'-methylethane-1,2-diamine is C=CC(CCC)CN(C)CCN.
What is the InChIKey of N'-(2-ethenylpentyl)-N'-methylethane-1,2-diamine?
The InChIKey is RISMBBFDGYOUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-4-6-10(5-2)9-12(3)8-7-11/h5,10H,2,4,6-9,11H2,1,3H3.
What are the key properties of N'-(2-ethenylpentyl)-N'-methylethane-1,2-diamine?
N'-(2-ethenylpentyl)-N'-methylethane-1,2-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethenylpentyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 126691381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).