N'-methyl-N-pentan-3-ylmethanimidamide

C7H16N2 — CID 146960213

IUPACN'-methyl-N-pentan-3-ylmethanimidamide
SMILESCCC(CC)N/C=N/C
InChIInChI=1S/C7H16N2/c1-4-7(5-2)9-6-8-3/h6-7H,4-5H2,1-3H3,(H,8,9)
InChIKeyAKKXQTZENHORHV-UHFFFAOYSA-N
MW128.22 g/mol
LogP1.42
Rot. Bonds4

About N'-methyl-N-pentan-3-ylmethanimidamide

N'-methyl-N-pentan-3-ylmethanimidamide (PubChem CID 146960213) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is N'-methyl-N-pentan-3-ylmethanimidamide.

Molecular Properties

Compound NameN'-methyl-N-pentan-3-ylmethanimidamide
PubChem CID146960213
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC NameN'-methyl-N-pentan-3-ylmethanimidamide
SMILESCCC(CC)N/C=N/C
InChIInChI=1S/C7H16N2/c1-4-7(5-2)9-6-8-3/h6-7H,4-5H2,1-3H3,(H,8,9)
InChIKeyAKKXQTZENHORHV-UHFFFAOYSA-N
XLogP1.42
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 51.42
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'}

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Related Compounds

N-(1-iodoethyl)-N'-methylmethanimidamide
CID 163628896
N-[1-(dimethylamino)-2-(methylamino)ethyl]-N'-methylmethanimidamide
CID 142202873
N-[4-[ethyl(methyl)amino]butan-2-yl]-N'-methylmethanimidamide
CID 139506562
N-(3-amino-3-methylbutan-2-yl)-N'-methylmethanimidamide
CID 91204574
N-(aminomethyl)-N'-methylmethanimidamide
CID 123185735
1-[(2R)-1-hydroxybutan-2-yl]-2,3-dimethylguanidine
CID 130928964
N-[(2R)-1-hydroxybutan-2-yl]formamide
CID 55286549
1-amino-3-(1-cyclopropylbutan-2-yl)-2-methylguanidine
CID 104882252
2-ethyl-N-methylpent-4-en-1-imine
CID 123486283
2-methylbutyl N-methylmethanimidothioate
CID 135141123
potassium;N,N'-dimethylmethanimidamide;hydride
CID 173129967
methane;pentan-3-ylhydrazine
CID 162238675

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-pentan-3-ylmethanimidamide?
The IUPAC name of N'-methyl-N-pentan-3-ylmethanimidamide (CID 146960213) is N'-methyl-N-pentan-3-ylmethanimidamide.
What is the SMILES notation for N'-methyl-N-pentan-3-ylmethanimidamide?
The canonical SMILES for N'-methyl-N-pentan-3-ylmethanimidamide is CCC(CC)N/C=N/C.
What is the InChIKey of N'-methyl-N-pentan-3-ylmethanimidamide?
The InChIKey is AKKXQTZENHORHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-4-7(5-2)9-6-8-3/h6-7H,4-5H2,1-3H3,(H,8,9).
What are the key properties of N'-methyl-N-pentan-3-ylmethanimidamide?
N'-methyl-N-pentan-3-ylmethanimidamide has a molecular weight of 128.22 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-pentan-3-ylmethanimidamide is sourced from PubChem (CID 146960213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).