N'-methyl-N-(2,4,7-trimethyloct-5-enyl)methanimidamide

C13H26N2 — CID 123570444

IUPACN'-methyl-N-(2,4,7-trimethyloct-5-enyl)methanimidamide
SMILESC/N=C/NCC(C)CC(C)C=CC(C)C
InChIInChI=1S/C13H26N2/c1-11(2)6-7-12(3)8-13(4)9-15-10-14-5/h6-7,10-13H,8-9H2,1-5H3,(H,14,15)
InChIKeyYQFJDSLKCTYQPA-UHFFFAOYSA-N
MW210.37 g/mol
LogP3.11
Rot. Bonds7

About N'-methyl-N-(2,4,7-trimethyloct-5-enyl)methanimidamide

N'-methyl-N-(2,4,7-trimethyloct-5-enyl)methanimidamide (PubChem CID 123570444) has the molecular formula C13H26N2 and a molecular weight of 210.37 g/mol. Its IUPAC name is N'-methyl-N-(2,4,7-trimethyloct-5-enyl)methanimidamide.

Molecular Properties

Compound NameN'-methyl-N-(2,4,7-trimethyloct-5-enyl)methanimidamide
PubChem CID123570444
Molecular FormulaC13H26N2
Molecular Weight210.37 g/mol
Exact Mass210.21
IUPAC NameN'-methyl-N-(2,4,7-trimethyloct-5-enyl)methanimidamide
SMILESC/N=C/NCC(C)CC(C)C=CC(C)C
InChIInChI=1S/C13H26N2/c1-11(2)6-7-12(3)8-13(4)9-15-10-14-5/h6-7,10-13H,8-9H2,1-5H3,(H,14,15)
InChIKeyYQFJDSLKCTYQPA-UHFFFAOYSA-N
XLogP3.11
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.37
LogP ≤ 53.11
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N'-(2-ethenylhex-5-enyl)-N-prop-1-en-2-ylmethanimidamide
CID 123759223
6-(2,3-Dimethylpent-4-enyl)-4-propyl-1,4-dihydropyrimidin-5-amine
CID 126599338
6-(3-Methylpent-4-en-2-yl)-4-propyl-1,4-dihydropyrimidin-5-amine
CID 145259351
N-(1-amino-2-ethenylpentyl)-N'-(2-cyclohexa-1,5-dien-1-ylbutyl)methanimidamide
CID 146661126
(1R,10Z)-8-ethyl-6-methylidene-2,4-diazabicyclo[10.1.0]trideca-3,10-diene
CID 166649943
N'-ethyl-N-[(Z)-2-methylhex-4-en-3-yl]methanimidamide
CID 166872200
N'-methyl-N-[(E)-2-propan-2-ylpent-3-enyl]methanimidamide
CID 166907437
N'-[[(1R)-3-[(3R)-1-(methylamino)pentan-3-yl]cyclohexa-2,4-dien-1-yl]methyl]methanimidamide
CID 174333379
2-cyclohex-3-en-1-yl-4-N,4-N-dimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine
CID 176537741
1,2-Dimethyl-3-(4-methylpentyl)-1-pent-4-enylguanidine
CID 109497597
1-Cyclopent-3-en-1-yl-3-ethyl-2-(4-methylpentyl)guanidine;hydroiodide
CID 109769064
1-Cyclopent-3-en-1-yl-3-ethyl-2-(4-methylpentyl)guanidine
CID 109769065

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(2,4,7-trimethyloct-5-enyl)methanimidamide?
The IUPAC name of N'-methyl-N-(2,4,7-trimethyloct-5-enyl)methanimidamide (CID 123570444) is N'-methyl-N-(2,4,7-trimethyloct-5-enyl)methanimidamide.
What is the SMILES notation for N'-methyl-N-(2,4,7-trimethyloct-5-enyl)methanimidamide?
The canonical SMILES for N'-methyl-N-(2,4,7-trimethyloct-5-enyl)methanimidamide is C/N=C/NCC(C)CC(C)C=CC(C)C.
What is the InChIKey of N'-methyl-N-(2,4,7-trimethyloct-5-enyl)methanimidamide?
The InChIKey is YQFJDSLKCTYQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-11(2)6-7-12(3)8-13(4)9-15-10-14-5/h6-7,10-13H,8-9H2,1-5H3,(H,14,15).
What are the key properties of N'-methyl-N-(2,4,7-trimethyloct-5-enyl)methanimidamide?
N'-methyl-N-(2,4,7-trimethyloct-5-enyl)methanimidamide has a molecular weight of 210.37 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(2,4,7-trimethyloct-5-enyl)methanimidamide is sourced from PubChem (CID 123570444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).