N,N-dimethyl-N'-(3-methylpent-2-en-2-yl)methanimidamide

C9H18N2 — CID 123235169

IUPACN,N-dimethyl-N'-(3-methylpent-2-en-2-yl)methanimidamide
SMILESCCC(C)=C(C)/N=C/N(C)C
InChIInChI=1S/C9H18N2/c1-6-8(2)9(3)10-7-11(4)5/h7H,6H2,1-5H3/b9-8?,10-7+
InChIKeyIYTXPOAZAMWGMX-GLNSQRODSA-N
MW154.26 g/mol
LogP2.28
Rot. Bonds3

About N,N-dimethyl-N'-(3-methylpent-2-en-2-yl)methanimidamide

N,N-dimethyl-N'-(3-methylpent-2-en-2-yl)methanimidamide (PubChem CID 123235169) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N,N-dimethyl-N'-(3-methylpent-2-en-2-yl)methanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-(3-methylpent-2-en-2-yl)methanimidamide
PubChem CID123235169
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN,N-dimethyl-N'-(3-methylpent-2-en-2-yl)methanimidamide
SMILESCCC(C)=C(C)/N=C/N(C)C
InChIInChI=1S/C9H18N2/c1-6-8(2)9(3)10-7-11(4)5/h7H,6H2,1-5H3/b9-8?,10-7+
InChIKeyIYTXPOAZAMWGMX-GLNSQRODSA-N
XLogP2.28
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.28
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'}

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Related Compounds

6-ethyl-1,5-dimethyl-4H-pyrimidine
CID 117884540
N,N-dimethyl-N'-[(E)-3-methylpent-2-en-2-yl]methanimidamide
CID 118351973
N,N'-dimethyl-N-(4-methylhex-3-en-3-yl)methanimidamide
CID 123816291
N'-[(E)-4-methylhex-3-en-3-yl]-N-methylidenemethanimidamide
CID 135246476
N,N-dimethyl-N'-(3-methylbut-2-en-2-yl)methanimidamide
CID 139818257
N,N-dimethyl-N'-(3-methylpent-2-en-2-yl)ethanimidamide
CID 139818258
N'-[(E)-hex-3-en-3-yl]-N,N-dimethylmethanimidamide
CID 146510058
N,N-dimethyl-N'-(3-methylbut-2-en-2-yl)methanimidamide;ethane
CID 156893020
N'-(2,4-dimethylpent-2-en-3-yl)-N-methyliminomethanimidamide
CID 166777872
N'-(2,4-dimethylhex-3-en-3-yl)-N,N-dimethylethanimidamide;ethane
CID 172628054
N'-(1,1-dicyanobut-1-en-2-yl)-N,N-dimethylmethanimidamide
CID 12680137
1,3,4,5,6,7-Hexamethyl-1,3-diazepin-1-ium
CID 102245435

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-(3-methylpent-2-en-2-yl)methanimidamide?
The IUPAC name of N,N-dimethyl-N'-(3-methylpent-2-en-2-yl)methanimidamide (CID 123235169) is N,N-dimethyl-N'-(3-methylpent-2-en-2-yl)methanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-(3-methylpent-2-en-2-yl)methanimidamide?
The canonical SMILES for N,N-dimethyl-N'-(3-methylpent-2-en-2-yl)methanimidamide is CCC(C)=C(C)/N=C/N(C)C.
What is the InChIKey of N,N-dimethyl-N'-(3-methylpent-2-en-2-yl)methanimidamide?
The InChIKey is IYTXPOAZAMWGMX-GLNSQRODSA-N. The full InChI is InChI=1S/C9H18N2/c1-6-8(2)9(3)10-7-11(4)5/h7H,6H2,1-5H3/b9-8?,10-7+.
What are the key properties of N,N-dimethyl-N'-(3-methylpent-2-en-2-yl)methanimidamide?
N,N-dimethyl-N'-(3-methylpent-2-en-2-yl)methanimidamide has a molecular weight of 154.26 g/mol, XLogP of 2.28, 3 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-methylpent-2-en-2-yl)methanimidamide is sourced from PubChem (CID 123235169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).