ethane;N-propan-2-ylidene-N'-prop-1-en-2-ylmethanimidamide

C9H18N2 — CID 144595825

IUPACethane;N-propan-2-ylidene-N'-prop-1-en-2-ylmethanimidamide
SMILESC=C(C)/N=C/N=C(C)C.CC
InChIInChI=1S/C7H12N2.C2H6/c1-6(2)8-5-9-7(3)4;1-2/h5H,1H2,2-4H3;1-2H3/b8-5+;
InChIKeyJOLHWWAHQTYADU-HAAWTFQLSA-N
MW154.26 g/mol
LogP3.06
Rot. Bonds2

About ethane;N-propan-2-ylidene-N'-prop-1-en-2-ylmethanimidamide

ethane;N-propan-2-ylidene-N'-prop-1-en-2-ylmethanimidamide (PubChem CID 144595825) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is ethane;N-propan-2-ylidene-N'-prop-1-en-2-ylmethanimidamide.

Molecular Properties

Compound Nameethane;N-propan-2-ylidene-N'-prop-1-en-2-ylmethanimidamide
PubChem CID144595825
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Nameethane;N-propan-2-ylidene-N'-prop-1-en-2-ylmethanimidamide
SMILESC=C(C)/N=C/N=C(C)C.CC
InChIInChI=1S/C7H12N2.C2H6/c1-6(2)8-5-9-7(3)4;1-2/h5H,1H2,2-4H3;1-2H3/b8-5+;
InChIKeyJOLHWWAHQTYADU-HAAWTFQLSA-N
XLogP3.06
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 53.06
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of ethane;N-propan-2-ylidene-N'-prop-1-en-2-ylmethanimidamide?
The IUPAC name of ethane;N-propan-2-ylidene-N'-prop-1-en-2-ylmethanimidamide (CID 144595825) is ethane;N-propan-2-ylidene-N'-prop-1-en-2-ylmethanimidamide.
What is the SMILES notation for ethane;N-propan-2-ylidene-N'-prop-1-en-2-ylmethanimidamide?
The canonical SMILES for ethane;N-propan-2-ylidene-N'-prop-1-en-2-ylmethanimidamide is C=C(C)/N=C/N=C(C)C.CC.
What is the InChIKey of ethane;N-propan-2-ylidene-N'-prop-1-en-2-ylmethanimidamide?
The InChIKey is JOLHWWAHQTYADU-HAAWTFQLSA-N. The full InChI is InChI=1S/C7H12N2.C2H6/c1-6(2)8-5-9-7(3)4;1-2/h5H,1H2,2-4H3;1-2H3/b8-5+;.
What are the key properties of ethane;N-propan-2-ylidene-N'-prop-1-en-2-ylmethanimidamide?
ethane;N-propan-2-ylidene-N'-prop-1-en-2-ylmethanimidamide has a molecular weight of 154.26 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-propan-2-ylidene-N'-prop-1-en-2-ylmethanimidamide is sourced from PubChem (CID 144595825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).