N'-methyl-N-(3-methylhex-3-enyl)propanimidamide

C11H22N2 — CID 91334191

IUPACN'-methyl-N-(3-methylhex-3-enyl)propanimidamide
SMILESCCC=C(C)CCN/C(CC)=N/C
InChIInChI=1S/C11H22N2/c1-5-7-10(3)8-9-13-11(6-2)12-4/h7H,5-6,8-9H2,1-4H3,(H,12,13)
InChIKeyOZQFVMLOOKTLQM-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.76
Rot. Bonds5

About N'-methyl-N-(3-methylhex-3-enyl)propanimidamide

N'-methyl-N-(3-methylhex-3-enyl)propanimidamide (PubChem CID 91334191) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N'-methyl-N-(3-methylhex-3-enyl)propanimidamide.

Molecular Properties

Compound NameN'-methyl-N-(3-methylhex-3-enyl)propanimidamide
PubChem CID91334191
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN'-methyl-N-(3-methylhex-3-enyl)propanimidamide
SMILESCCC=C(C)CCN/C(CC)=N/C
InChIInChI=1S/C11H22N2/c1-5-7-10(3)8-9-13-11(6-2)12-4/h7H,5-6,8-9H2,1-4H3,(H,12,13)
InChIKeyOZQFVMLOOKTLQM-UHFFFAOYSA-N
XLogP2.76
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.76
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

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CID 56627724
N-propyl-2,5-dihydropyridin-6-amine
CID 56630298
(3E,5Z)-N-ethyl-N',3,6,7-tetramethylocta-3,5,7-trienimidamide
CID 89311716
2-pent-2-enyl-4,5-dihydro-1H-imidazole
CID 90193128
2-[(5Z,7Z)-2-[(3Z)-penta-1,3-dien-2-yl]-4,9-dihydro-1H-1,3-diazonin-5-yl]prop-2-en-1-amine
CID 118186576
N-[(2R)-6-methylhept-5-en-2-yl]-3,4-dihydro-2H-pyrrol-5-amine
CID 121450918
N-(2,6-dimethylhepta-2,5-dien-4-yl)-3,4-dihydro-2H-pyrrol-5-amine
CID 121451327
Ethyl-methyl-[1-(pent-2-en-2-ylamino)butylidene]azanium
CID 123212275
N'-methyl-N-(2-methylbut-2-enyl)propanimidamide
CID 123564371
9-Ethenyl-2,6-dimethyl-1,4,9,10-tetrahydro-1,3-diazecine
CID 123923845
Methyl-pent-3-enyl-pyrrolidin-2-ylideneazanium
CID 123943797
(Z)-N-ethyl-2-imino-N'-methylpent-3-enimidamide
CID 123967106

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(3-methylhex-3-enyl)propanimidamide?
The IUPAC name of N'-methyl-N-(3-methylhex-3-enyl)propanimidamide (CID 91334191) is N'-methyl-N-(3-methylhex-3-enyl)propanimidamide.
What is the SMILES notation for N'-methyl-N-(3-methylhex-3-enyl)propanimidamide?
The canonical SMILES for N'-methyl-N-(3-methylhex-3-enyl)propanimidamide is CCC=C(C)CCN/C(CC)=N/C.
What is the InChIKey of N'-methyl-N-(3-methylhex-3-enyl)propanimidamide?
The InChIKey is OZQFVMLOOKTLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-5-7-10(3)8-9-13-11(6-2)12-4/h7H,5-6,8-9H2,1-4H3,(H,12,13).
What are the key properties of N'-methyl-N-(3-methylhex-3-enyl)propanimidamide?
N'-methyl-N-(3-methylhex-3-enyl)propanimidamide has a molecular weight of 182.31 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(3-methylhex-3-enyl)propanimidamide is sourced from PubChem (CID 91334191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).