N-[(Z)-but-3-en-2-ylideneamino]methanamine;ethane

C9H22N2 — CID 142586154

IUPACN-[(Z)-but-3-en-2-ylideneamino]methanamine;ethane
SMILESC=C/C(C)=N\NC.CC.CC
InChIInChI=1S/C5H10N2.2C2H6/c1-4-5(2)7-6-3;2*1-2/h4,6H,1H2,2-3H3;2*1-2H3/b7-5-;;
InChIKeyLWKHLQRIVOHPEC-MWKZNRQPSA-N
MW158.29 g/mol
LogP2.82
Rot. Bonds2

About N-[(Z)-but-3-en-2-ylideneamino]methanamine;ethane

N-[(Z)-but-3-en-2-ylideneamino]methanamine;ethane (PubChem CID 142586154) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is N-[(Z)-but-3-en-2-ylideneamino]methanamine;ethane.

Molecular Properties

Compound NameN-[(Z)-but-3-en-2-ylideneamino]methanamine;ethane
PubChem CID142586154
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC NameN-[(Z)-but-3-en-2-ylideneamino]methanamine;ethane
SMILESC=C/C(C)=N\NC.CC.CC
InChIInChI=1S/C5H10N2.2C2H6/c1-4-5(2)7-6-3;2*1-2/h4,6H,1H2,2-3H3;2*1-2H3/b7-5-;;
InChIKeyLWKHLQRIVOHPEC-MWKZNRQPSA-N
XLogP2.82
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 52.82
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]propan-2-amine
CID 143570825
ethane;N-[(Z)-3-methylbut-3-en-2-ylideneamino]methanamine
CID 142059793
ethane;(Z)-N-(methylideneamino)but-3-en-2-imine
CID 143330418
N'-[(Z)-but-3-en-2-ylideneamino]-N-methylidenemethanimidamide;ethane
CID 143657698
N-[3-(methylhydrazinylidene)butan-2-ylideneamino]methanamine
CID 6850505
N-[(Z)-but-2-en-2-yl]but-3-en-2-imine;ethane
CID 142047244
N-[(Z)-but-2-en-2-yl]but-3-en-2-imine;ethane
CID 142047288
(Z)-N-[(Z)-ethylideneamino]but-3-en-2-imine
CID 90089205
N-[(Z)-3-methylbut-3-en-2-ylideneamino]methanamine
CID 88948516
(E)-N-methoxybut-3-en-2-imine
CID 142905738
ethane;methyl (1Z)-N-methylethanehydrazonate
CID 167502195
butane;ethane;N-ethenylbut-3-en-2-imine
CID 145149803

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-but-3-en-2-ylideneamino]methanamine;ethane?
The IUPAC name of N-[(Z)-but-3-en-2-ylideneamino]methanamine;ethane (CID 142586154) is N-[(Z)-but-3-en-2-ylideneamino]methanamine;ethane.
What is the SMILES notation for N-[(Z)-but-3-en-2-ylideneamino]methanamine;ethane?
The canonical SMILES for N-[(Z)-but-3-en-2-ylideneamino]methanamine;ethane is C=C/C(C)=N\NC.CC.CC.
What is the InChIKey of N-[(Z)-but-3-en-2-ylideneamino]methanamine;ethane?
The InChIKey is LWKHLQRIVOHPEC-MWKZNRQPSA-N. The full InChI is InChI=1S/C5H10N2.2C2H6/c1-4-5(2)7-6-3;2*1-2/h4,6H,1H2,2-3H3;2*1-2H3/b7-5-;;.
What are the key properties of N-[(Z)-but-3-en-2-ylideneamino]methanamine;ethane?
N-[(Z)-but-3-en-2-ylideneamino]methanamine;ethane has a molecular weight of 158.29 g/mol, XLogP of 2.82, 2 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]methanamine;ethane is sourced from PubChem (CID 142586154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).