ethane;N-[(Z)-3-methylpent-3-en-2-ylidene]methanimidamide

C9H18N2 — CID 143839166

IUPACethane;N-[(Z)-3-methylpent-3-en-2-ylidene]methanimidamide
SMILESCC.[H]/N=C/N=C(C)/C(C)=C\C
InChIInChI=1S/C7H12N2.C2H6/c1-4-6(2)7(3)9-5-8;1-2/h4-5,8H,1-3H3;1-2H3/b6-4-,8-5+,9-7+;
InChIKeyKIPCYKNEELRQIE-HTGCBBIXSA-N
MW154.26 g/mol
LogP3.05
Rot. Bonds2

About ethane;N-[(Z)-3-methylpent-3-en-2-ylidene]methanimidamide

ethane;N-[(Z)-3-methylpent-3-en-2-ylidene]methanimidamide (PubChem CID 143839166) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is ethane;N-[(Z)-3-methylpent-3-en-2-ylidene]methanimidamide.

Molecular Properties

Compound Nameethane;N-[(Z)-3-methylpent-3-en-2-ylidene]methanimidamide
PubChem CID143839166
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Nameethane;N-[(Z)-3-methylpent-3-en-2-ylidene]methanimidamide
SMILESCC.[H]/N=C/N=C(C)/C(C)=C\C
InChIInChI=1S/C7H12N2.C2H6/c1-4-6(2)7(3)9-5-8;1-2/h4-5,8H,1-3H3;1-2H3/b6-4-,8-5+,9-7+;
InChIKeyKIPCYKNEELRQIE-HTGCBBIXSA-N
XLogP3.05
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of ethane;N-[(Z)-3-methylpent-3-en-2-ylidene]methanimidamide?
The IUPAC name of ethane;N-[(Z)-3-methylpent-3-en-2-ylidene]methanimidamide (CID 143839166) is ethane;N-[(Z)-3-methylpent-3-en-2-ylidene]methanimidamide.
What is the SMILES notation for ethane;N-[(Z)-3-methylpent-3-en-2-ylidene]methanimidamide?
The canonical SMILES for ethane;N-[(Z)-3-methylpent-3-en-2-ylidene]methanimidamide is CC.[H]/N=C/N=C(C)/C(C)=C\C.
What is the InChIKey of ethane;N-[(Z)-3-methylpent-3-en-2-ylidene]methanimidamide?
The InChIKey is KIPCYKNEELRQIE-HTGCBBIXSA-N. The full InChI is InChI=1S/C7H12N2.C2H6/c1-4-6(2)7(3)9-5-8;1-2/h4-5,8H,1-3H3;1-2H3/b6-4-,8-5+,9-7+;.
What are the key properties of ethane;N-[(Z)-3-methylpent-3-en-2-ylidene]methanimidamide?
ethane;N-[(Z)-3-methylpent-3-en-2-ylidene]methanimidamide has a molecular weight of 154.26 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(Z)-3-methylpent-3-en-2-ylidene]methanimidamide is sourced from PubChem (CID 143839166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).