N,N-dimethyl-N'-(3-methyl-2-methylidenepent-3-enyl)methanimidamide

C10H18N2 — CID 22898444

IUPACN,N-dimethyl-N'-(3-methyl-2-methylidenepent-3-enyl)methanimidamide
SMILESC=C(C/N=C/N(C)C)C(C)=CC
InChIInChI=1S/C10H18N2/c1-6-9(2)10(3)7-11-8-12(4)5/h6,8H,3,7H2,1-2,4-5H3/b9-6?,11-8+
InChIKeyAEIPFOZIGFVEGA-GWVBEGLUSA-N
MW166.27 g/mol
LogP2.10
Rot. Bonds4

About N,N-dimethyl-N'-(3-methyl-2-methylidenepent-3-enyl)methanimidamide

N,N-dimethyl-N'-(3-methyl-2-methylidenepent-3-enyl)methanimidamide (PubChem CID 22898444) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N,N-dimethyl-N'-(3-methyl-2-methylidenepent-3-enyl)methanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-(3-methyl-2-methylidenepent-3-enyl)methanimidamide
PubChem CID22898444
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN,N-dimethyl-N'-(3-methyl-2-methylidenepent-3-enyl)methanimidamide
SMILESC=C(C/N=C/N(C)C)C(C)=CC
InChIInChI=1S/C10H18N2/c1-6-9(2)10(3)7-11-8-12(4)5/h6,8H,3,7H2,1-2,4-5H3/b9-6?,11-8+
InChIKeyAEIPFOZIGFVEGA-GWVBEGLUSA-N
XLogP2.10
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.10
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-(2-methanidylidene-3-methylpent-3-enyl)imino-N,N-dimethylmethanamine;bis(yttrium)
CID 59952992
N-amino-N-methyl-N'-[(2E,4E)-5-methylhepta-2,4-dienyl]methanimidamide
CID 121420160
N'-(1,3-diethyl-6-methyl-2H-pyridin-5-yl)-N,N-dimethylmethanimidamide
CID 140968291
N,N'-dimethyl-N-[(3Z,5E,7E,9Z)-7-[(Z)-prop-1-enyl]undeca-3,5,7,9-tetraen-2-yl]methanimidamide;ethane
CID 142177969
N,N-dimethyl-N'-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]methanimidamide
CID 10423605
5-but-2-en-2-yl-1,2-dimethyl-4H-pyrimidine
CID 18740808
N,N'-dimethyl-N-[(3Z,5E,7E,9Z)-7-[(Z)-prop-1-enyl]undeca-3,5,7,9-tetraen-2-yl]methanimidamide
CID 142177970
N,N'-dimethyl-N-[(1E,4Z)-3-methylidenehexa-1,4-dienyl]methanimidamide
CID 145180329
N'-[(E)-2-[(Z)-but-2-en-2-yl]-3-methylpent-2-enyl]methanimidamide
CID 169233630

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-(3-methyl-2-methylidenepent-3-enyl)methanimidamide?
The IUPAC name of N,N-dimethyl-N'-(3-methyl-2-methylidenepent-3-enyl)methanimidamide (CID 22898444) is N,N-dimethyl-N'-(3-methyl-2-methylidenepent-3-enyl)methanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-(3-methyl-2-methylidenepent-3-enyl)methanimidamide?
The canonical SMILES for N,N-dimethyl-N'-(3-methyl-2-methylidenepent-3-enyl)methanimidamide is C=C(C/N=C/N(C)C)C(C)=CC.
What is the InChIKey of N,N-dimethyl-N'-(3-methyl-2-methylidenepent-3-enyl)methanimidamide?
The InChIKey is AEIPFOZIGFVEGA-GWVBEGLUSA-N. The full InChI is InChI=1S/C10H18N2/c1-6-9(2)10(3)7-11-8-12(4)5/h6,8H,3,7H2,1-2,4-5H3/b9-6?,11-8+.
What are the key properties of N,N-dimethyl-N'-(3-methyl-2-methylidenepent-3-enyl)methanimidamide?
N,N-dimethyl-N'-(3-methyl-2-methylidenepent-3-enyl)methanimidamide has a molecular weight of 166.27 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(3-methyl-2-methylidenepent-3-enyl)methanimidamide is sourced from PubChem (CID 22898444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).