N-ethenyl-2-methyl-N-[(Z)-prop-2-enylideneamino]propan-2-amine

C9H16N2 — CID 130207608

IUPACN-ethenyl-2-methyl-N-[(Z)-prop-2-enylideneamino]propan-2-amine
SMILESC=C/C=N\N(C=C)C(C)(C)C
InChIInChI=1S/C9H16N2/c1-6-8-10-11(7-2)9(3,4)5/h6-8H,1-2H2,3-5H3/b10-8-
InChIKeyQNGBWPWQQAHQRF-NTMALXAHSA-N
MW152.24 g/mol
LogP2.40
Rot. Bonds3

About N-ethenyl-2-methyl-N-[(Z)-prop-2-enylideneamino]propan-2-amine

N-ethenyl-2-methyl-N-[(Z)-prop-2-enylideneamino]propan-2-amine (PubChem CID 130207608) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N-ethenyl-2-methyl-N-[(Z)-prop-2-enylideneamino]propan-2-amine.

Molecular Properties

Compound NameN-ethenyl-2-methyl-N-[(Z)-prop-2-enylideneamino]propan-2-amine
PubChem CID130207608
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN-ethenyl-2-methyl-N-[(Z)-prop-2-enylideneamino]propan-2-amine
SMILESC=C/C=N\N(C=C)C(C)(C)C
InChIInChI=1S/C9H16N2/c1-6-8-10-11(7-2)9(3,4)5/h6-8H,1-2H2,3-5H3/b10-8-
InChIKeyQNGBWPWQQAHQRF-NTMALXAHSA-N
XLogP2.40
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-2-methyl-N-[(Z)-prop-2-enylideneamino]propan-2-amine?
The IUPAC name of N-ethenyl-2-methyl-N-[(Z)-prop-2-enylideneamino]propan-2-amine (CID 130207608) is N-ethenyl-2-methyl-N-[(Z)-prop-2-enylideneamino]propan-2-amine.
What is the SMILES notation for N-ethenyl-2-methyl-N-[(Z)-prop-2-enylideneamino]propan-2-amine?
The canonical SMILES for N-ethenyl-2-methyl-N-[(Z)-prop-2-enylideneamino]propan-2-amine is C=C/C=N\N(C=C)C(C)(C)C.
What is the InChIKey of N-ethenyl-2-methyl-N-[(Z)-prop-2-enylideneamino]propan-2-amine?
The InChIKey is QNGBWPWQQAHQRF-NTMALXAHSA-N. The full InChI is InChI=1S/C9H16N2/c1-6-8-10-11(7-2)9(3,4)5/h6-8H,1-2H2,3-5H3/b10-8-.
What are the key properties of N-ethenyl-2-methyl-N-[(Z)-prop-2-enylideneamino]propan-2-amine?
N-ethenyl-2-methyl-N-[(Z)-prop-2-enylideneamino]propan-2-amine has a molecular weight of 152.24 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-2-methyl-N-[(Z)-prop-2-enylideneamino]propan-2-amine is sourced from PubChem (CID 130207608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).