2-imino-N-propan-2-yl-N-prop-2-enylpropan-1-amine

C9H18N2 — CID 155323046

IUPAC2-imino-N-propan-2-yl-N-prop-2-enylpropan-1-amine
SMILES[H]/N=C(\C)CN(CC=C)C(C)C
InChIInChI=1S/C9H18N2/c1-5-6-11(8(2)3)7-9(4)10/h5,8,10H,1,6-7H2,2-4H3/b10-9+
InChIKeyJLTYOLQBPBNJOD-MDZDMXLPSA-N
MW154.26 g/mol
LogP1.92
Rot. Bonds5

About 2-imino-N-propan-2-yl-N-prop-2-enylpropan-1-amine

2-imino-N-propan-2-yl-N-prop-2-enylpropan-1-amine (PubChem CID 155323046) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-imino-N-propan-2-yl-N-prop-2-enylpropan-1-amine.

Molecular Properties

Compound Name2-imino-N-propan-2-yl-N-prop-2-enylpropan-1-amine
PubChem CID155323046
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-imino-N-propan-2-yl-N-prop-2-enylpropan-1-amine
SMILES[H]/N=C(\C)CN(CC=C)C(C)C
InChIInChI=1S/C9H18N2/c1-5-6-11(8(2)3)7-9(4)10/h5,8,10H,1,6-7H2,2-4H3/b10-9+
InChIKeyJLTYOLQBPBNJOD-MDZDMXLPSA-N
XLogP1.92
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-imino-N-propan-2-yl-N-prop-2-enylpropan-1-amine?
The IUPAC name of 2-imino-N-propan-2-yl-N-prop-2-enylpropan-1-amine (CID 155323046) is 2-imino-N-propan-2-yl-N-prop-2-enylpropan-1-amine.
What is the SMILES notation for 2-imino-N-propan-2-yl-N-prop-2-enylpropan-1-amine?
The canonical SMILES for 2-imino-N-propan-2-yl-N-prop-2-enylpropan-1-amine is [H]/N=C(\C)CN(CC=C)C(C)C.
What is the InChIKey of 2-imino-N-propan-2-yl-N-prop-2-enylpropan-1-amine?
The InChIKey is JLTYOLQBPBNJOD-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H18N2/c1-5-6-11(8(2)3)7-9(4)10/h5,8,10H,1,6-7H2,2-4H3/b10-9+.
What are the key properties of 2-imino-N-propan-2-yl-N-prop-2-enylpropan-1-amine?
2-imino-N-propan-2-yl-N-prop-2-enylpropan-1-amine has a molecular weight of 154.26 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-N-propan-2-yl-N-prop-2-enylpropan-1-amine is sourced from PubChem (CID 155323046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).