ethane;2-methyl-N-(methylideneamino)-N-[(Z)-prop-1-enyl]propan-2-amine

C10H22N2 — CID 144947285

IUPACethane;2-methyl-N-(methylideneamino)-N-[(Z)-prop-1-enyl]propan-2-amine
SMILESC=NN(/C=C\C)C(C)(C)C.CC
InChIInChI=1S/C8H16N2.C2H6/c1-6-7-10(9-5)8(2,3)4;1-2/h6-7H,5H2,1-4H3;1-2H3/b7-6-;
InChIKeyXNRRMYOHZDDWTQ-NAFXZHHSSA-N
MW170.30 g/mol
LogP3.26
Rot. Bonds2

About ethane;2-methyl-N-(methylideneamino)-N-[(Z)-prop-1-enyl]propan-2-amine

ethane;2-methyl-N-(methylideneamino)-N-[(Z)-prop-1-enyl]propan-2-amine (PubChem CID 144947285) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is ethane;2-methyl-N-(methylideneamino)-N-[(Z)-prop-1-enyl]propan-2-amine.

Molecular Properties

Compound Nameethane;2-methyl-N-(methylideneamino)-N-[(Z)-prop-1-enyl]propan-2-amine
PubChem CID144947285
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Nameethane;2-methyl-N-(methylideneamino)-N-[(Z)-prop-1-enyl]propan-2-amine
SMILESC=NN(/C=C\C)C(C)(C)C.CC
InChIInChI=1S/C8H16N2.C2H6/c1-6-7-10(9-5)8(2,3)4;1-2/h6-7H,5H2,1-4H3;1-2H3/b7-6-;
InChIKeyXNRRMYOHZDDWTQ-NAFXZHHSSA-N
XLogP3.26
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.26
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 ethane;2-methyl-N-(methylideneamino)-N-[(Z)-prop-1-enyl]propan-2-amine?
The IUPAC name of ethane;2-methyl-N-(methylideneamino)-N-[(Z)-prop-1-enyl]propan-2-amine (CID 144947285) is ethane;2-methyl-N-(methylideneamino)-N-[(Z)-prop-1-enyl]propan-2-amine.
What is the SMILES notation for ethane;2-methyl-N-(methylideneamino)-N-[(Z)-prop-1-enyl]propan-2-amine?
The canonical SMILES for ethane;2-methyl-N-(methylideneamino)-N-[(Z)-prop-1-enyl]propan-2-amine is C=NN(/C=C\C)C(C)(C)C.CC.
What is the InChIKey of ethane;2-methyl-N-(methylideneamino)-N-[(Z)-prop-1-enyl]propan-2-amine?
The InChIKey is XNRRMYOHZDDWTQ-NAFXZHHSSA-N. The full InChI is InChI=1S/C8H16N2.C2H6/c1-6-7-10(9-5)8(2,3)4;1-2/h6-7H,5H2,1-4H3;1-2H3/b7-6-;.
What are the key properties of ethane;2-methyl-N-(methylideneamino)-N-[(Z)-prop-1-enyl]propan-2-amine?
ethane;2-methyl-N-(methylideneamino)-N-[(Z)-prop-1-enyl]propan-2-amine has a molecular weight of 170.30 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-N-(methylideneamino)-N-[(Z)-prop-1-enyl]propan-2-amine is sourced from PubChem (CID 144947285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).