N'-methyl-2-methylimino-N-pentan-3-ylbut-3-enimidamide

C11H21N3 — CID 91476468

IUPACN'-methyl-2-methylimino-N-pentan-3-ylbut-3-enimidamide
SMILESC=CC(=N\C)/C(=N\C)NC(CC)CC
InChIInChI=1S/C11H21N3/c1-6-9(7-2)14-11(13-5)10(8-3)12-4/h8-9H,3,6-7H2,1-2,4-5H3,(H,13,14)/b12-10+
InChIKeyWCLMXZRNKFZWTR-ZRDIBKRKSA-N
MW195.31 g/mol
LogP2.05
Rot. Bonds5

About N'-methyl-2-methylimino-N-pentan-3-ylbut-3-enimidamide

N'-methyl-2-methylimino-N-pentan-3-ylbut-3-enimidamide (PubChem CID 91476468) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N'-methyl-2-methylimino-N-pentan-3-ylbut-3-enimidamide.

Molecular Properties

Compound NameN'-methyl-2-methylimino-N-pentan-3-ylbut-3-enimidamide
PubChem CID91476468
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN'-methyl-2-methylimino-N-pentan-3-ylbut-3-enimidamide
SMILESC=CC(=N\C)/C(=N\C)NC(CC)CC
InChIInChI=1S/C11H21N3/c1-6-9(7-2)14-11(13-5)10(8-3)12-4/h8-9H,3,6-7H2,1-2,4-5H3,(H,13,14)/b12-10+
InChIKeyWCLMXZRNKFZWTR-ZRDIBKRKSA-N
XLogP2.05
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(1E)-N,N'-Di(propan-2-yl)prop-2-enimidamide
CID 330685
N,N'-di(propan-2-yl)but-3-enimidamide
CID 134920311
N-propan-2-yl-N'-propylprop-2-enimidamide
CID 20344304
N-(2-iminohept-6-en-3-yl)-N'-methylethanimidamide
CID 123161639
(Z)-N-ethyl-2-imino-N'-methylpent-3-enimidamide
CID 123967106
ethane;N'-methyl-N-pentan-3-ylprop-2-enimidamide
CID 143846720
N-butan-2-yl-N'-methylbut-3-enimidamide
CID 155129645
N-pent-4-en-2-yl-2,3,4,5-tetrahydropyridin-6-amine
CID 116040191
N-pent-4-en-2-yl-3,4-dihydro-2H-pyrrol-5-amine
CID 116040291
N-pent-4-en-2-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 116040292
N-but-3-en-2-yl-2,3,4,5-tetrahydropyridin-6-amine
CID 116145940
N-but-3-en-2-yl-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 116145976

Frequently Asked Questions

What is the IUPAC name of N'-methyl-2-methylimino-N-pentan-3-ylbut-3-enimidamide?
The IUPAC name of N'-methyl-2-methylimino-N-pentan-3-ylbut-3-enimidamide (CID 91476468) is N'-methyl-2-methylimino-N-pentan-3-ylbut-3-enimidamide.
What is the SMILES notation for N'-methyl-2-methylimino-N-pentan-3-ylbut-3-enimidamide?
The canonical SMILES for N'-methyl-2-methylimino-N-pentan-3-ylbut-3-enimidamide is C=CC(=N\C)/C(=N\C)NC(CC)CC.
What is the InChIKey of N'-methyl-2-methylimino-N-pentan-3-ylbut-3-enimidamide?
The InChIKey is WCLMXZRNKFZWTR-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H21N3/c1-6-9(7-2)14-11(13-5)10(8-3)12-4/h8-9H,3,6-7H2,1-2,4-5H3,(H,13,14)/b12-10+.
What are the key properties of N'-methyl-2-methylimino-N-pentan-3-ylbut-3-enimidamide?
N'-methyl-2-methylimino-N-pentan-3-ylbut-3-enimidamide has a molecular weight of 195.31 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-2-methylimino-N-pentan-3-ylbut-3-enimidamide is sourced from PubChem (CID 91476468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).