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

C7H16N2 — CID 56979478

IUPAC1-N-(2-methylprop-2-enyl)propane-1,2-diamine
SMILESC=C(C)CNCC(C)N
InChIInChI=1S/C7H16N2/c1-6(2)4-9-5-7(3)8/h7,9H,1,4-5,8H2,2-3H3
InChIKeyMWRYEBYYLBBYGF-UHFFFAOYSA-N
MW128.22 g/mol
LogP0.50
Rot. Bonds4

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

1-N-(2-methylprop-2-enyl)propane-1,2-diamine (PubChem CID 56979478) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 1-N-(2-methylprop-2-enyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-methylprop-2-enyl)propane-1,2-diamine
PubChem CID56979478
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name1-N-(2-methylprop-2-enyl)propane-1,2-diamine
SMILESC=C(C)CNCC(C)N
InChIInChI=1S/C7H16N2/c1-6(2)4-9-5-7(3)8/h7,9H,1,4-5,8H2,2-3H3
InChIKeyMWRYEBYYLBBYGF-UHFFFAOYSA-N
XLogP0.50
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N1-(2-methyl-2-propenyl)-1,2-ethanediamine
CID 224772
2-Methyl-N-(propan-2-yl)prop-2-en-1-amine
CID 12844965
N'-(2-methylprop-2-enyl)propane-1,3-diamine
CID 62331906
(2S)-1-N-(2-methylprop-2-enyl)propane-1,2-diamine
CID 10011916
2-methylidene-N,N'-di(propan-2-yl)propane-1,3-diamine
CID 12427676
1-N-prop-2-enylpropane-1,2-diamine
CID 21698536
1-N,2-N-bis(prop-2-enyl)propane-1,2-diamine
CID 54287033
N-methyl-N'-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 55287143
(2R)-2-N,3-dimethylbut-3-ene-1,2-diamine
CID 58834140
N-(2-methylprop-2-enyl)butan-2-amine
CID 60684103
N',N'-dimethyl-N-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 60686491
2-N-methyl-2-N-propan-2-yl-1-N-prop-2-enylpropane-1,2-diamine
CID 62558150

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methylprop-2-enyl)propane-1,2-diamine?
The IUPAC name of 1-N-(2-methylprop-2-enyl)propane-1,2-diamine (CID 56979478) is 1-N-(2-methylprop-2-enyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-(2-methylprop-2-enyl)propane-1,2-diamine?
The canonical SMILES for 1-N-(2-methylprop-2-enyl)propane-1,2-diamine is C=C(C)CNCC(C)N.
What is the InChIKey of 1-N-(2-methylprop-2-enyl)propane-1,2-diamine?
The InChIKey is MWRYEBYYLBBYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-6(2)4-9-5-7(3)8/h7,9H,1,4-5,8H2,2-3H3.
What are the key properties of 1-N-(2-methylprop-2-enyl)propane-1,2-diamine?
1-N-(2-methylprop-2-enyl)propane-1,2-diamine has a molecular weight of 128.22 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methylprop-2-enyl)propane-1,2-diamine is sourced from PubChem (CID 56979478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).