hexan-2-ylidene-methyl-(C-methyl-N-prop-1-en-2-ylcarbonimidoyl)azanium

C12H23N2+ — CID 91026832

IUPAChexan-2-ylidene-methyl-(C-methyl-N-prop-1-en-2-ylcarbonimidoyl)azanium
SMILESC=C(C)/N=C(C)/[N+](C)=C(\C)CCCC
InChIInChI=1S/C12H23N2/c1-7-8-9-11(4)14(6)12(5)13-10(2)3/h2,7-9H2,1,3-6H3/q+1/b13-12+,14-11+
InChIKeyHDQINIOXHVZEAO-UIGAKZAYSA-N
MW195.33 g/mol
LogP3.23
Rot. Bonds4

About hexan-2-ylidene-methyl-(C-methyl-N-prop-1-en-2-ylcarbonimidoyl)azanium

hexan-2-ylidene-methyl-(C-methyl-N-prop-1-en-2-ylcarbonimidoyl)azanium (PubChem CID 91026832) has the molecular formula C12H23N2+ and a molecular weight of 195.33 g/mol. Its IUPAC name is hexan-2-ylidene-methyl-(C-methyl-N-prop-1-en-2-ylcarbonimidoyl)azanium.

Molecular Properties

Compound Namehexan-2-ylidene-methyl-(C-methyl-N-prop-1-en-2-ylcarbonimidoyl)azanium
PubChem CID91026832
Molecular FormulaC12H23N2+
Molecular Weight195.33 g/mol
Exact Mass195.19
IUPAC Namehexan-2-ylidene-methyl-(C-methyl-N-prop-1-en-2-ylcarbonimidoyl)azanium
SMILESC=C(C)/N=C(C)/[N+](C)=C(\C)CCCC
InChIInChI=1S/C12H23N2/c1-7-8-9-11(4)14(6)12(5)13-10(2)3/h2,7-9H2,1,3-6H3/q+1/b13-12+,14-11+
InChIKeyHDQINIOXHVZEAO-UIGAKZAYSA-N
XLogP3.23
TPSA15.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.23
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'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N'-(N,N-dimethyl-N'-prop-1-en-2-ylcarbamimidoyl)-N,N-dimethylpropanimidamide
CID 123623563
N-butan-2-ylidene-N'-prop-1-en-2-ylethanimidamide
CID 147678646
N-[2-[(Z)-but-2-en-2-yl]iminohexan-3-ylidene]-N'-methylethanimidamide;ethane
CID 177041296
N-[2-[(Z)-but-2-en-2-yl]iminohexan-3-ylidene]-N'-methylethanimidamide
CID 177041297

Frequently Asked Questions

What is the IUPAC name of hexan-2-ylidene-methyl-(C-methyl-N-prop-1-en-2-ylcarbonimidoyl)azanium?
The IUPAC name of hexan-2-ylidene-methyl-(C-methyl-N-prop-1-en-2-ylcarbonimidoyl)azanium (CID 91026832) is hexan-2-ylidene-methyl-(C-methyl-N-prop-1-en-2-ylcarbonimidoyl)azanium.
What is the SMILES notation for hexan-2-ylidene-methyl-(C-methyl-N-prop-1-en-2-ylcarbonimidoyl)azanium?
The canonical SMILES for hexan-2-ylidene-methyl-(C-methyl-N-prop-1-en-2-ylcarbonimidoyl)azanium is C=C(C)/N=C(C)/[N+](C)=C(\C)CCCC.
What is the InChIKey of hexan-2-ylidene-methyl-(C-methyl-N-prop-1-en-2-ylcarbonimidoyl)azanium?
The InChIKey is HDQINIOXHVZEAO-UIGAKZAYSA-N. The full InChI is InChI=1S/C12H23N2/c1-7-8-9-11(4)14(6)12(5)13-10(2)3/h2,7-9H2,1,3-6H3/q+1/b13-12+,14-11+.
What are the key properties of hexan-2-ylidene-methyl-(C-methyl-N-prop-1-en-2-ylcarbonimidoyl)azanium?
hexan-2-ylidene-methyl-(C-methyl-N-prop-1-en-2-ylcarbonimidoyl)azanium has a molecular weight of 195.33 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexan-2-ylidene-methyl-(C-methyl-N-prop-1-en-2-ylcarbonimidoyl)azanium is sourced from PubChem (CID 91026832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).