(Z)-2-methyl-N-(propan-2-ylideneamino)propan-1-imine

C7H14N2 — CID 91540977

IUPAC(Z)-2-methyl-N-(propan-2-ylideneamino)propan-1-imine
SMILESCC(C)=N/N=C\C(C)C
InChIInChI=1S/C7H14N2/c1-6(2)5-8-9-7(3)4/h5-6H,1-4H3/b8-5-
InChIKeyKYKSMIIBHJTJNJ-YVMONPNESA-N
MW126.20 g/mol
LogP2.11
Rot. Bonds2

About (Z)-2-methyl-N-(propan-2-ylideneamino)propan-1-imine

(Z)-2-methyl-N-(propan-2-ylideneamino)propan-1-imine (PubChem CID 91540977) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (Z)-2-methyl-N-(propan-2-ylideneamino)propan-1-imine.

Molecular Properties

Compound Name(Z)-2-methyl-N-(propan-2-ylideneamino)propan-1-imine
PubChem CID91540977
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(Z)-2-methyl-N-(propan-2-ylideneamino)propan-1-imine
SMILESCC(C)=N/N=C\C(C)C
InChIInChI=1S/C7H14N2/c1-6(2)5-8-9-7(3)4/h5-6H,1-4H3/b8-5-
InChIKeyKYKSMIIBHJTJNJ-YVMONPNESA-N
XLogP2.11
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.11
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 (Z)-2-methyl-N-(propan-2-ylideneamino)propan-1-imine?
The IUPAC name of (Z)-2-methyl-N-(propan-2-ylideneamino)propan-1-imine (CID 91540977) is (Z)-2-methyl-N-(propan-2-ylideneamino)propan-1-imine.
What is the SMILES notation for (Z)-2-methyl-N-(propan-2-ylideneamino)propan-1-imine?
The canonical SMILES for (Z)-2-methyl-N-(propan-2-ylideneamino)propan-1-imine is CC(C)=N/N=C\C(C)C.
What is the InChIKey of (Z)-2-methyl-N-(propan-2-ylideneamino)propan-1-imine?
The InChIKey is KYKSMIIBHJTJNJ-YVMONPNESA-N. The full InChI is InChI=1S/C7H14N2/c1-6(2)5-8-9-7(3)4/h5-6H,1-4H3/b8-5-.
What are the key properties of (Z)-2-methyl-N-(propan-2-ylideneamino)propan-1-imine?
(Z)-2-methyl-N-(propan-2-ylideneamino)propan-1-imine has a molecular weight of 126.20 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-N-(propan-2-ylideneamino)propan-1-imine is sourced from PubChem (CID 91540977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).