ethane;N-prop-2-enylidenebutanimidamide

C9H18N2 — CID 170581268

IUPACethane;N-prop-2-enylidenebutanimidamide
SMILESCC.[H]/N=C(CCC)/N=C/C=C
InChIInChI=1S/C7H12N2.C2H6/c1-3-5-7(8)9-6-4-2;1-2/h4,6,8H,2-3,5H2,1H3;1-2H3/b8-7+,9-6+;
InChIKeyCTZHXBLWHBMJJM-CFIVAETHSA-N
MW154.26 g/mol
LogP3.05
Rot. Bonds3

About ethane;N-prop-2-enylidenebutanimidamide

ethane;N-prop-2-enylidenebutanimidamide (PubChem CID 170581268) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is ethane;N-prop-2-enylidenebutanimidamide.

Molecular Properties

Compound Nameethane;N-prop-2-enylidenebutanimidamide
PubChem CID170581268
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Nameethane;N-prop-2-enylidenebutanimidamide
SMILESCC.[H]/N=C(CCC)/N=C/C=C
InChIInChI=1S/C7H12N2.C2H6/c1-3-5-7(8)9-6-4-2;1-2/h4,6,8H,2-3,5H2,1H3;1-2H3/b8-7+,9-6+;
InChIKeyCTZHXBLWHBMJJM-CFIVAETHSA-N
XLogP3.05
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-pent-1-en-2-ylprop-2-en-1-imine
CID 142986997
butane;N-prop-1-en-2-ylprop-2-en-1-imine
CID 144787234
1,1-dimethyl-3-prop-2-enylideneguanidine
CID 173495661
butanimidoyl bromide
CID 151001850
CID 172586051
CID 172586051
(Z)-N-ethyl-1-(prop-2-enylideneamino)-N-propylprop-1-en-1-amine
CID 174008881
3-imino-2-(2-methylprop-2-enylideneamino)hept-1-en-4-one
CID 123552704
ethane;N'-ethenyl-N-prop-2-enylideneethanimidamide
CID 144981959
hexan-3-imine
CID 44512023
N-pentylideneethanimidamide
CID 153377709
CID 10089884
CID 10089884
(Z)-2-(prop-2-enylideneamino)but-2-en-1-amine
CID 142031575

Frequently Asked Questions

What is the IUPAC name of ethane;N-prop-2-enylidenebutanimidamide?
The IUPAC name of ethane;N-prop-2-enylidenebutanimidamide (CID 170581268) is ethane;N-prop-2-enylidenebutanimidamide.
What is the SMILES notation for ethane;N-prop-2-enylidenebutanimidamide?
The canonical SMILES for ethane;N-prop-2-enylidenebutanimidamide is CC.[H]/N=C(CCC)/N=C/C=C.
What is the InChIKey of ethane;N-prop-2-enylidenebutanimidamide?
The InChIKey is CTZHXBLWHBMJJM-CFIVAETHSA-N. The full InChI is InChI=1S/C7H12N2.C2H6/c1-3-5-7(8)9-6-4-2;1-2/h4,6,8H,2-3,5H2,1H3;1-2H3/b8-7+,9-6+;.
What are the key properties of ethane;N-prop-2-enylidenebutanimidamide?
ethane;N-prop-2-enylidenebutanimidamide has a molecular weight of 154.26 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-prop-2-enylidenebutanimidamide is sourced from PubChem (CID 170581268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).