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

C7H16N2 — CID 10011916

IUPAC(2S)-1-N-(2-methylprop-2-enyl)propane-1,2-diamine
SMILESC=C(C)CNC[C@H](C)N
InChIInChI=1S/C7H16N2/c1-6(2)4-9-5-7(3)8/h7,9H,1,4-5,8H2,2-3H3/t7-/m0/s1
InChIKeyMWRYEBYYLBBYGF-ZETCQYMHSA-N
MW128.22 g/mol
LogP0.50
Rot. Bonds4

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

(2S)-1-N-(2-methylprop-2-enyl)propane-1,2-diamine (PubChem CID 10011916) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is (2S)-1-N-(2-methylprop-2-enyl)propane-1,2-diamine.

Molecular Properties

Compound Name(2S)-1-N-(2-methylprop-2-enyl)propane-1,2-diamine
PubChem CID10011916
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name(2S)-1-N-(2-methylprop-2-enyl)propane-1,2-diamine
SMILESC=C(C)CNC[C@H](C)N
InChIInChI=1S/C7H16N2/c1-6(2)4-9-5-7(3)8/h7,9H,1,4-5,8H2,2-3H3/t7-/m0/s1
InChIKeyMWRYEBYYLBBYGF-ZETCQYMHSA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-(2-methylprop-2-enyl)propane-1,2-diamine?
The IUPAC name of (2S)-1-N-(2-methylprop-2-enyl)propane-1,2-diamine (CID 10011916) is (2S)-1-N-(2-methylprop-2-enyl)propane-1,2-diamine.
What is the SMILES notation for (2S)-1-N-(2-methylprop-2-enyl)propane-1,2-diamine?
The canonical SMILES for (2S)-1-N-(2-methylprop-2-enyl)propane-1,2-diamine is C=C(C)CNC[C@H](C)N.
What is the InChIKey of (2S)-1-N-(2-methylprop-2-enyl)propane-1,2-diamine?
The InChIKey is MWRYEBYYLBBYGF-ZETCQYMHSA-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/t7-/m0/s1.
What are the key properties of (2S)-1-N-(2-methylprop-2-enyl)propane-1,2-diamine?
(2S)-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 (2S)-1-N-(2-methylprop-2-enyl)propane-1,2-diamine is sourced from PubChem (CID 10011916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).