N-[(Z)-but-3-en-2-ylideneamino]propan-2-amine

C7H14N2 — CID 143570825

IUPACN-[(Z)-but-3-en-2-ylideneamino]propan-2-amine
SMILESC=C/C(C)=N\NC(C)C
InChIInChI=1S/C7H14N2/c1-5-7(4)9-8-6(2)3/h5-6,8H,1H2,2-4H3/b9-7-
InChIKeyRJBVYELAUVRILP-CLFYSBASSA-N
MW126.20 g/mol
LogP1.55
Rot. Bonds3

About N-[(Z)-but-3-en-2-ylideneamino]propan-2-amine

N-[(Z)-but-3-en-2-ylideneamino]propan-2-amine (PubChem CID 143570825) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N-[(Z)-but-3-en-2-ylideneamino]propan-2-amine.

Molecular Properties

Compound NameN-[(Z)-but-3-en-2-ylideneamino]propan-2-amine
PubChem CID143570825
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN-[(Z)-but-3-en-2-ylideneamino]propan-2-amine
SMILESC=C/C(C)=N\NC(C)C
InChIInChI=1S/C7H14N2/c1-5-7(4)9-8-6(2)3/h5-6,8H,1H2,2-4H3/b9-7-
InChIKeyRJBVYELAUVRILP-CLFYSBASSA-N
XLogP1.55
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.55
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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Related Compounds

N-[(Z)-but-3-en-2-ylideneamino]methanamine;ethane
CID 142586154
N-[(Z)-4-iodopent-2-en-3-yl]but-3-en-2-imine
CID 139359343
N-(1-cycloheptylethyl)but-3-en-2-imine
CID 87069900
sodium N-propan-2-ylprop-2-enamide
CID 19004870
N-formylprop-2-enamide;bis(propan-2-one)
CID 22614021
(E)-N-methoxybut-3-en-2-imine
CID 142905738
2-methylbuta-1,3-diene;2-methylpropane
CID 19064095
N-formylprop-2-enamide;N-methylformamide
CID 159760738
(1E)-1-(propan-2-ylhydrazinylidene)propan-2-one
CID 87205234
sodium;hydride;N-propan-2-ylprop-2-enamide
CID 173347226
N-(but-3-en-2-ylideneamino)-2,4,6-trichloroaniline
CID 529810
ethyl 2-[(2E)-2-but-3-en-2-ylidenehydrazinyl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate
CID 156516198

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-but-3-en-2-ylideneamino]propan-2-amine?
The IUPAC name of N-[(Z)-but-3-en-2-ylideneamino]propan-2-amine (CID 143570825) is N-[(Z)-but-3-en-2-ylideneamino]propan-2-amine.
What is the SMILES notation for N-[(Z)-but-3-en-2-ylideneamino]propan-2-amine?
The canonical SMILES for N-[(Z)-but-3-en-2-ylideneamino]propan-2-amine is C=C/C(C)=N\NC(C)C.
What is the InChIKey of N-[(Z)-but-3-en-2-ylideneamino]propan-2-amine?
The InChIKey is RJBVYELAUVRILP-CLFYSBASSA-N. The full InChI is InChI=1S/C7H14N2/c1-5-7(4)9-8-6(2)3/h5-6,8H,1H2,2-4H3/b9-7-.
What are the key properties of N-[(Z)-but-3-en-2-ylideneamino]propan-2-amine?
N-[(Z)-but-3-en-2-ylideneamino]propan-2-amine has a molecular weight of 126.20 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-3-en-2-ylideneamino]propan-2-amine is sourced from PubChem (CID 143570825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).