N-(4,4-dimethylpentyl)-N'-methylethanimidamide

C10H22N2 — CID 59630968

IUPACN-(4,4-dimethylpentyl)-N'-methylethanimidamide
SMILESC/N=C(\C)NCCCC(C)(C)C
InChIInChI=1S/C10H22N2/c1-9(11-5)12-8-6-7-10(2,3)4/h6-8H2,1-5H3,(H,11,12)
InChIKeyZIYIWAMVKSCUOX-UHFFFAOYSA-N
MW170.30 g/mol
LogP2.45
Rot. Bonds3

About N-(4,4-dimethylpentyl)-N'-methylethanimidamide

N-(4,4-dimethylpentyl)-N'-methylethanimidamide (PubChem CID 59630968) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is N-(4,4-dimethylpentyl)-N'-methylethanimidamide.

Molecular Properties

Compound NameN-(4,4-dimethylpentyl)-N'-methylethanimidamide
PubChem CID59630968
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC NameN-(4,4-dimethylpentyl)-N'-methylethanimidamide
SMILESC/N=C(\C)NCCCC(C)(C)C
InChIInChI=1S/C10H22N2/c1-9(11-5)12-8-6-7-10(2,3)4/h6-8H2,1-5H3,(H,11,12)
InChIKeyZIYIWAMVKSCUOX-UHFFFAOYSA-N
XLogP2.45
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(4,4-dimethylpentyl)-1,2-dimethyl-1-pent-4-enylguanidine
CID 109499166
1-(4,4-dimethylpentyl)-2-(2-methylprop-2-enyl)guanidine
CID 111637998
1-(5,5-dimethylhexyl)-2-methyl-3-prop-2-enylguanidine
CID 110982625
2-acetamido-N-(4,4-dimethylpentyl)propanamide
CID 162466533
1-(5,5-dimethylhexyl)-3-(2-methoxy-2-methylpropyl)-2-methylguanidine
CID 111606417
N-(4,4-dimethylpentyl)cyclopropanecarboxamide
CID 110421021
1-(4,4-dimethylpentyl)-2-methyl-3-(2-thiophen-2-ylethyl)guanidine
CID 111638024
N-(3,3-dimethylbut-1-en-2-yl)-5,5-dimethylhexan-1-amine
CID 130193024
1-(5,5-dimethylhexyl)-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111315930
N-(5,5-dimethylhexyl)-4,4-dimethylpentanamide
CID 59197749
N-(5,5-dimethylhexyl)-6,6-dimethylheptanamide
CID 155613162
1-(4,4-dimethylpentyl)-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylguanidine
CID 111637930

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylpentyl)-N'-methylethanimidamide?
The IUPAC name of N-(4,4-dimethylpentyl)-N'-methylethanimidamide (CID 59630968) is N-(4,4-dimethylpentyl)-N'-methylethanimidamide.
What is the SMILES notation for N-(4,4-dimethylpentyl)-N'-methylethanimidamide?
The canonical SMILES for N-(4,4-dimethylpentyl)-N'-methylethanimidamide is C/N=C(\C)NCCCC(C)(C)C.
What is the InChIKey of N-(4,4-dimethylpentyl)-N'-methylethanimidamide?
The InChIKey is ZIYIWAMVKSCUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-9(11-5)12-8-6-7-10(2,3)4/h6-8H2,1-5H3,(H,11,12).
What are the key properties of N-(4,4-dimethylpentyl)-N'-methylethanimidamide?
N-(4,4-dimethylpentyl)-N'-methylethanimidamide has a molecular weight of 170.30 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylpentyl)-N'-methylethanimidamide is sourced from PubChem (CID 59630968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).