N'-methyl-N-(5-methyl-4-methylidenehexan-3-ylidene)methanimidamide

C10H18N2 — CID 165130850

IUPACN'-methyl-N-(5-methyl-4-methylidenehexan-3-ylidene)methanimidamide
SMILESC=C(/C(CC)=N/C=N/C)C(C)C
InChIInChI=1S/C10H18N2/c1-6-10(12-7-11-5)9(4)8(2)3/h7-8H,4,6H2,1-3,5H3/b11-7+,12-10+
InChIKeyAKZZWDZEDBOUKY-CRALUGIISA-N
MW166.27 g/mol
LogP2.71
Rot. Bonds4

About N'-methyl-N-(5-methyl-4-methylidenehexan-3-ylidene)methanimidamide

N'-methyl-N-(5-methyl-4-methylidenehexan-3-ylidene)methanimidamide (PubChem CID 165130850) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N'-methyl-N-(5-methyl-4-methylidenehexan-3-ylidene)methanimidamide.

Molecular Properties

Compound NameN'-methyl-N-(5-methyl-4-methylidenehexan-3-ylidene)methanimidamide
PubChem CID165130850
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN'-methyl-N-(5-methyl-4-methylidenehexan-3-ylidene)methanimidamide
SMILESC=C(/C(CC)=N/C=N/C)C(C)C
InChIInChI=1S/C10H18N2/c1-6-10(12-7-11-5)9(4)8(2)3/h7-8H,4,6H2,1-3,5H3/b11-7+,12-10+
InChIKeyAKZZWDZEDBOUKY-CRALUGIISA-N
XLogP2.71
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.71
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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Related Compounds

N-ethenyl-5-methyl-4-methylidenehexan-3-imine
CID 177170143
N-[(Z)-2-ethyl-4-methyl-3-methylidenepent-1-enyl]methanimine
CID 145384898
(Z)-3,5-dimethyl-4-methylidenehex-2-ene;propane
CID 145319399
4-methylidene-N-[(Z)-3-methyliminoprop-1-enyl]hexan-3-imine
CID 123252466
(2R)-2-methyl-5-methylideneheptanal
CID 10240896
(E)-N,2-dimethyl-6-methylidene-4-propyloct-4-en-3-imine
CID 134380298
N-[1-(furan-2-yl)-2-methylidenebutylidene]-N'-methylmethanimidamide
CID 88554811
(3E,5Z)-3-ethyl-6-fluoro-2-methyl-5-(3-methylbut-1-en-2-yl)octa-3,5-diene
CID 167060574
N-[(4Z)-2,6-dimethylhepta-1,4,6-trien-3-ylidene]-N'-methylmethanimidamide;ethane
CID 143635668
3,4-dimethylidenehexan-2-ol
CID 130126331
8-ethenylimino-6-N,4,9-trimethyl-2-N-(2-methylidenebutyl)deca-1,5,9-triene-2,6-diamine
CID 143342222
ethane;ethene;(Z)-N-methyl-2-propan-2-ylbut-2-en-1-imine
CID 169242531

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(5-methyl-4-methylidenehexan-3-ylidene)methanimidamide?
The IUPAC name of N'-methyl-N-(5-methyl-4-methylidenehexan-3-ylidene)methanimidamide (CID 165130850) is N'-methyl-N-(5-methyl-4-methylidenehexan-3-ylidene)methanimidamide.
What is the SMILES notation for N'-methyl-N-(5-methyl-4-methylidenehexan-3-ylidene)methanimidamide?
The canonical SMILES for N'-methyl-N-(5-methyl-4-methylidenehexan-3-ylidene)methanimidamide is C=C(/C(CC)=N/C=N/C)C(C)C.
What is the InChIKey of N'-methyl-N-(5-methyl-4-methylidenehexan-3-ylidene)methanimidamide?
The InChIKey is AKZZWDZEDBOUKY-CRALUGIISA-N. The full InChI is InChI=1S/C10H18N2/c1-6-10(12-7-11-5)9(4)8(2)3/h7-8H,4,6H2,1-3,5H3/b11-7+,12-10+.
What are the key properties of N'-methyl-N-(5-methyl-4-methylidenehexan-3-ylidene)methanimidamide?
N'-methyl-N-(5-methyl-4-methylidenehexan-3-ylidene)methanimidamide has a molecular weight of 166.27 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(5-methyl-4-methylidenehexan-3-ylidene)methanimidamide is sourced from PubChem (CID 165130850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).