N-ethenyl-3-methylimino-N-propan-2-ylprop-1-en-2-amine

C9H16N2 — CID 91379689

IUPACN-ethenyl-3-methylimino-N-propan-2-ylprop-1-en-2-amine
SMILESC=CN(C(=C)/C=N/C)C(C)C
InChIInChI=1S/C9H16N2/c1-6-11(8(2)3)9(4)7-10-5/h6-8H,1,4H2,2-3,5H3/b10-7+
InChIKeyVWGHQAGBTXLWCY-JXMROGBWSA-N
MW152.24 g/mol
LogP2.05
Rot. Bonds4

About N-ethenyl-3-methylimino-N-propan-2-ylprop-1-en-2-amine

N-ethenyl-3-methylimino-N-propan-2-ylprop-1-en-2-amine (PubChem CID 91379689) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N-ethenyl-3-methylimino-N-propan-2-ylprop-1-en-2-amine.

Molecular Properties

Compound NameN-ethenyl-3-methylimino-N-propan-2-ylprop-1-en-2-amine
PubChem CID91379689
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN-ethenyl-3-methylimino-N-propan-2-ylprop-1-en-2-amine
SMILESC=CN(C(=C)/C=N/C)C(C)C
InChIInChI=1S/C9H16N2/c1-6-11(8(2)3)9(4)7-10-5/h6-8H,1,4H2,2-3,5H3/b10-7+
InChIKeyVWGHQAGBTXLWCY-JXMROGBWSA-N
XLogP2.05
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-3-methylimino-N-propan-2-ylprop-1-en-2-amine?
The IUPAC name of N-ethenyl-3-methylimino-N-propan-2-ylprop-1-en-2-amine (CID 91379689) is N-ethenyl-3-methylimino-N-propan-2-ylprop-1-en-2-amine.
What is the SMILES notation for N-ethenyl-3-methylimino-N-propan-2-ylprop-1-en-2-amine?
The canonical SMILES for N-ethenyl-3-methylimino-N-propan-2-ylprop-1-en-2-amine is C=CN(C(=C)/C=N/C)C(C)C.
What is the InChIKey of N-ethenyl-3-methylimino-N-propan-2-ylprop-1-en-2-amine?
The InChIKey is VWGHQAGBTXLWCY-JXMROGBWSA-N. The full InChI is InChI=1S/C9H16N2/c1-6-11(8(2)3)9(4)7-10-5/h6-8H,1,4H2,2-3,5H3/b10-7+.
What are the key properties of N-ethenyl-3-methylimino-N-propan-2-ylprop-1-en-2-amine?
N-ethenyl-3-methylimino-N-propan-2-ylprop-1-en-2-amine has a molecular weight of 152.24 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-3-methylimino-N-propan-2-ylprop-1-en-2-amine is sourced from PubChem (CID 91379689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).