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

C9H18N2 — CID 118351973

IUPACN,N-dimethyl-N'-[(E)-3-methylpent-2-en-2-yl]methanimidamide
SMILESCC/C(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-DGLUDJRXSA-N
MW154.26 g/mol
LogP2.28
Rot. Bonds3

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

N,N-dimethyl-N'-[(E)-3-methylpent-2-en-2-yl]methanimidamide (PubChem CID 118351973) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N,N-dimethyl-N'-[(E)-3-methylpent-2-en-2-yl]methanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-[(E)-3-methylpent-2-en-2-yl]methanimidamide
PubChem CID118351973
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN,N-dimethyl-N'-[(E)-3-methylpent-2-en-2-yl]methanimidamide
SMILESCC/C(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-DGLUDJRXSA-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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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-[(E)-3-methylpent-2-en-2-yl]methanimidamide?
The IUPAC name of N,N-dimethyl-N'-[(E)-3-methylpent-2-en-2-yl]methanimidamide (CID 118351973) is N,N-dimethyl-N'-[(E)-3-methylpent-2-en-2-yl]methanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-[(E)-3-methylpent-2-en-2-yl]methanimidamide?
The canonical SMILES for N,N-dimethyl-N'-[(E)-3-methylpent-2-en-2-yl]methanimidamide is CC/C(C)=C(C)/N=C/N(C)C.
What is the InChIKey of N,N-dimethyl-N'-[(E)-3-methylpent-2-en-2-yl]methanimidamide?
The InChIKey is IYTXPOAZAMWGMX-DGLUDJRXSA-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'-[(E)-3-methylpent-2-en-2-yl]methanimidamide?
N,N-dimethyl-N'-[(E)-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'-[(E)-3-methylpent-2-en-2-yl]methanimidamide is sourced from PubChem (CID 118351973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).