N'-(2-methylprop-2-enyl)propane-1,3-diamine

C7H16N2 — CID 62331906

IUPACN'-(2-methylprop-2-enyl)propane-1,3-diamine
SMILESC=C(C)CNCCCN
InChIInChI=1S/C7H16N2/c1-7(2)6-9-5-3-4-8/h9H,1,3-6,8H2,2H3
InChIKeyQLFIIADRLVPWPJ-UHFFFAOYSA-N
MW128.22 g/mol
LogP0.50
Rot. Bonds5

About N'-(2-methylprop-2-enyl)propane-1,3-diamine

N'-(2-methylprop-2-enyl)propane-1,3-diamine (PubChem CID 62331906) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is N'-(2-methylprop-2-enyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-methylprop-2-enyl)propane-1,3-diamine
PubChem CID62331906
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC NameN'-(2-methylprop-2-enyl)propane-1,3-diamine
SMILESC=C(C)CNCCCN
InChIInChI=1S/C7H16N2/c1-7(2)6-9-5-3-4-8/h9H,1,3-6,8H2,2H3
InChIKeyQLFIIADRLVPWPJ-UHFFFAOYSA-N
XLogP0.50
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Propen-1-amine, N-ethyl-2-methyl-
CID 87587
Bis(2-methylprop-2-en-1-yl)amine
CID 233709
N-ethyl-N'-[3-[3-(2-methylprop-2-enylamino)propylamino]propyl]propane-1,3-diamine
CID 45271264
N1-(2-methyl-2-propenyl)-1,2-ethanediamine
CID 224772
N~1~,N~1~-Dimethylpropane-1,3-diamine--2-methylprop-1-ene (1/1)
CID 160336
N-tert-Butyl-2-methylprop-2-en-1-amine
CID 14244679
N,N'-dimethyl-2-methylene-trimethylenediamine
CID 12427674
2-Methyl-N-(propan-2-yl)prop-2-en-1-amine
CID 12844965
N-(3-fluoropropyl)-2-methylprop-2-en-1-amine
CID 89887494
N-ethyl-1-fluoro-2-methylprop-2-en-1-amine
CID 155275000
Bis(2-methylallyl)amine hydrochloride
CID 21496889
N,N'-dibutyl-2-methylidenepropane-1,3-diamine
CID 10608042

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylprop-2-enyl)propane-1,3-diamine?
The IUPAC name of N'-(2-methylprop-2-enyl)propane-1,3-diamine (CID 62331906) is N'-(2-methylprop-2-enyl)propane-1,3-diamine.
What is the SMILES notation for N'-(2-methylprop-2-enyl)propane-1,3-diamine?
The canonical SMILES for N'-(2-methylprop-2-enyl)propane-1,3-diamine is C=C(C)CNCCCN.
What is the InChIKey of N'-(2-methylprop-2-enyl)propane-1,3-diamine?
The InChIKey is QLFIIADRLVPWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-7(2)6-9-5-3-4-8/h9H,1,3-6,8H2,2H3.
What are the key properties of N'-(2-methylprop-2-enyl)propane-1,3-diamine?
N'-(2-methylprop-2-enyl)propane-1,3-diamine has a molecular weight of 128.22 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylprop-2-enyl)propane-1,3-diamine is sourced from PubChem (CID 62331906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).