N-(3,4-dimethylpent-4-enyl)-N-methyl-N'-[(Z)-prop-1-enyl]ethanimidamide

C13H24N2 — CID 143071579

IUPACN-(3,4-dimethylpent-4-enyl)-N-methyl-N'-[(Z)-prop-1-enyl]ethanimidamide
SMILESC=C(C)C(C)CCN(C)/C(C)=N/C=C\C
InChIInChI=1S/C13H24N2/c1-7-9-14-13(5)15(6)10-8-12(4)11(2)3/h7,9,12H,2,8,10H2,1,3-6H3/b9-7-,14-13+
InChIKeyOBVVUYFBSHTFFZ-WJLPJGEKSA-N
MW208.35 g/mol
LogP3.47
Rot. Bonds5

About N-(3,4-dimethylpent-4-enyl)-N-methyl-N'-[(Z)-prop-1-enyl]ethanimidamide

N-(3,4-dimethylpent-4-enyl)-N-methyl-N'-[(Z)-prop-1-enyl]ethanimidamide (PubChem CID 143071579) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is N-(3,4-dimethylpent-4-enyl)-N-methyl-N'-[(Z)-prop-1-enyl]ethanimidamide.

Molecular Properties

Compound NameN-(3,4-dimethylpent-4-enyl)-N-methyl-N'-[(Z)-prop-1-enyl]ethanimidamide
PubChem CID143071579
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC NameN-(3,4-dimethylpent-4-enyl)-N-methyl-N'-[(Z)-prop-1-enyl]ethanimidamide
SMILESC=C(C)C(C)CCN(C)/C(C)=N/C=C\C
InChIInChI=1S/C13H24N2/c1-7-9-14-13(5)15(6)10-8-12(4)11(2)3/h7,9,12H,2,8,10H2,1,3-6H3/b9-7-,14-13+
InChIKeyOBVVUYFBSHTFFZ-WJLPJGEKSA-N
XLogP3.47
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.47
H-Bond Donors ≤ 50
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

5-methyl-N,N-dipropyl-3,4-dihydropyridin-2-amine
CID 89192335
N-ethyl-N,3-dimethyl-4,5-dihydro-3H-azepin-2-amine
CID 91491983
N-butyl-3-methyl-N-propyl-3,4-dihydropyridin-2-amine
CID 123537710
N-methyl-N-(3-methylbutyl)-N'-[(E)-2-methylpent-1-enyl]ethanimidamide
CID 131999138
N-methyl-1-[(E)-3-methylbut-1-enyl]piperidin-2-imine
CID 137413297
ethane;N'-[(1Z)-2-ethylbuta-1,3-dienyl]-2-methyl-N,N-dipropylbutanimidamide
CID 142121541
N,4-dimethyl-1-propan-2-yl-3,4-dihydropyridin-2-imine;ethane
CID 142616651
N,4-dimethyl-1-propan-2-yl-3,4-dihydropyridin-2-imine
CID 142616652
ethane;1-ethenyl-N,5-dimethyl-3,4-dihydropyridin-2-imine;propane
CID 144550349
ethane;N-ethyl-1,4-dimethyl-3,4-dihydropyridin-2-imine
CID 163400517
N-ethyl-N-pentyl-3,4-dihydropyridin-2-amine
CID 163998141
1-(4-methylpiperidin-1-yl)-N-[(Z)-pent-1-enyl]ethanimine
CID 167255585

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylpent-4-enyl)-N-methyl-N'-[(Z)-prop-1-enyl]ethanimidamide?
The IUPAC name of N-(3,4-dimethylpent-4-enyl)-N-methyl-N'-[(Z)-prop-1-enyl]ethanimidamide (CID 143071579) is N-(3,4-dimethylpent-4-enyl)-N-methyl-N'-[(Z)-prop-1-enyl]ethanimidamide.
What is the SMILES notation for N-(3,4-dimethylpent-4-enyl)-N-methyl-N'-[(Z)-prop-1-enyl]ethanimidamide?
The canonical SMILES for N-(3,4-dimethylpent-4-enyl)-N-methyl-N'-[(Z)-prop-1-enyl]ethanimidamide is C=C(C)C(C)CCN(C)/C(C)=N/C=C\C.
What is the InChIKey of N-(3,4-dimethylpent-4-enyl)-N-methyl-N'-[(Z)-prop-1-enyl]ethanimidamide?
The InChIKey is OBVVUYFBSHTFFZ-WJLPJGEKSA-N. The full InChI is InChI=1S/C13H24N2/c1-7-9-14-13(5)15(6)10-8-12(4)11(2)3/h7,9,12H,2,8,10H2,1,3-6H3/b9-7-,14-13+.
What are the key properties of N-(3,4-dimethylpent-4-enyl)-N-methyl-N'-[(Z)-prop-1-enyl]ethanimidamide?
N-(3,4-dimethylpent-4-enyl)-N-methyl-N'-[(Z)-prop-1-enyl]ethanimidamide has a molecular weight of 208.35 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylpent-4-enyl)-N-methyl-N'-[(Z)-prop-1-enyl]ethanimidamide is sourced from PubChem (CID 143071579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).