ethane;N'-(2-methylhept-2-en-3-yl)-N-methylidenemethanimidamide

C14H30N2 — CID 142875288

IUPACethane;N'-(2-methylhept-2-en-3-yl)-N-methylidenemethanimidamide
SMILESC=N/C=N/C(CCCC)=C(C)C.CC.CC
InChIInChI=1S/C10H18N2.2C2H6/c1-5-6-7-10(9(2)3)12-8-11-4;2*1-2/h8H,4-7H2,1-3H3;2*1-2H3/b12-8+;;
InChIKeyWWIYSAVFLAHQIA-BPWZRWDXSA-N
MW226.41 g/mol
LogP5.25
Rot. Bonds5

About ethane;N'-(2-methylhept-2-en-3-yl)-N-methylidenemethanimidamide

ethane;N'-(2-methylhept-2-en-3-yl)-N-methylidenemethanimidamide (PubChem CID 142875288) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is ethane;N'-(2-methylhept-2-en-3-yl)-N-methylidenemethanimidamide.

Molecular Properties

Compound Nameethane;N'-(2-methylhept-2-en-3-yl)-N-methylidenemethanimidamide
PubChem CID142875288
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Nameethane;N'-(2-methylhept-2-en-3-yl)-N-methylidenemethanimidamide
SMILESC=N/C=N/C(CCCC)=C(C)C.CC.CC
InChIInChI=1S/C10H18N2.2C2H6/c1-5-6-7-10(9(2)3)12-8-11-4;2*1-2/h8H,4-7H2,1-3H3;2*1-2H3/b12-8+;;
InChIKeyWWIYSAVFLAHQIA-BPWZRWDXSA-N
XLogP5.25
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.41
LogP ≤ 55.25
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'-(2-methylhept-2-en-3-yl)-N-methylidenemethanimidamide?
The IUPAC name of ethane;N'-(2-methylhept-2-en-3-yl)-N-methylidenemethanimidamide (CID 142875288) is ethane;N'-(2-methylhept-2-en-3-yl)-N-methylidenemethanimidamide.
What is the SMILES notation for ethane;N'-(2-methylhept-2-en-3-yl)-N-methylidenemethanimidamide?
The canonical SMILES for ethane;N'-(2-methylhept-2-en-3-yl)-N-methylidenemethanimidamide is C=N/C=N/C(CCCC)=C(C)C.CC.CC.
What is the InChIKey of ethane;N'-(2-methylhept-2-en-3-yl)-N-methylidenemethanimidamide?
The InChIKey is WWIYSAVFLAHQIA-BPWZRWDXSA-N. The full InChI is InChI=1S/C10H18N2.2C2H6/c1-5-6-7-10(9(2)3)12-8-11-4;2*1-2/h8H,4-7H2,1-3H3;2*1-2H3/b12-8+;;.
What are the key properties of ethane;N'-(2-methylhept-2-en-3-yl)-N-methylidenemethanimidamide?
ethane;N'-(2-methylhept-2-en-3-yl)-N-methylidenemethanimidamide has a molecular weight of 226.41 g/mol, XLogP of 5.25, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-(2-methylhept-2-en-3-yl)-N-methylidenemethanimidamide is sourced from PubChem (CID 142875288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).