ethane;N-[(Z)-2-methylpropylideneamino]propan-2-amine

C9H22N2 — CID 172928574

IUPACethane;N-[(Z)-2-methylpropylideneamino]propan-2-amine
SMILESCC.CC(C)/C=N\NC(C)C
InChIInChI=1S/C7H16N2.C2H6/c1-6(2)5-8-9-7(3)4;1-2/h5-7,9H,1-4H3;1-2H3/b8-5-;
InChIKeyNFDWBQXAHOODLS-HGKIGUAWSA-N
MW158.29 g/mol
LogP2.65
Rot. Bonds3

About ethane;N-[(Z)-2-methylpropylideneamino]propan-2-amine

ethane;N-[(Z)-2-methylpropylideneamino]propan-2-amine (PubChem CID 172928574) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is ethane;N-[(Z)-2-methylpropylideneamino]propan-2-amine.

Molecular Properties

Compound Nameethane;N-[(Z)-2-methylpropylideneamino]propan-2-amine
PubChem CID172928574
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Nameethane;N-[(Z)-2-methylpropylideneamino]propan-2-amine
SMILESCC.CC(C)/C=N\NC(C)C
InChIInChI=1S/C7H16N2.C2H6/c1-6(2)5-8-9-7(3)4;1-2/h5-7,9H,1-4H3;1-2H3/b8-5-;
InChIKeyNFDWBQXAHOODLS-HGKIGUAWSA-N
XLogP2.65
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 52.65
H-Bond Donors ≤ 51
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 ethane;N-[(Z)-2-methylpropylideneamino]propan-2-amine?
The IUPAC name of ethane;N-[(Z)-2-methylpropylideneamino]propan-2-amine (CID 172928574) is ethane;N-[(Z)-2-methylpropylideneamino]propan-2-amine.
What is the SMILES notation for ethane;N-[(Z)-2-methylpropylideneamino]propan-2-amine?
The canonical SMILES for ethane;N-[(Z)-2-methylpropylideneamino]propan-2-amine is CC.CC(C)/C=N\NC(C)C.
What is the InChIKey of ethane;N-[(Z)-2-methylpropylideneamino]propan-2-amine?
The InChIKey is NFDWBQXAHOODLS-HGKIGUAWSA-N. The full InChI is InChI=1S/C7H16N2.C2H6/c1-6(2)5-8-9-7(3)4;1-2/h5-7,9H,1-4H3;1-2H3/b8-5-;.
What are the key properties of ethane;N-[(Z)-2-methylpropylideneamino]propan-2-amine?
ethane;N-[(Z)-2-methylpropylideneamino]propan-2-amine has a molecular weight of 158.29 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(Z)-2-methylpropylideneamino]propan-2-amine is sourced from PubChem (CID 172928574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).