N'-(2,4-dimethylpent-2-en-3-yl)-N-methyliminomethanimidamide

C9H17N3 — CID 166777872

IUPACN'-(2,4-dimethylpent-2-en-3-yl)-N-methyliminomethanimidamide
SMILESC/N=N/C=N/C(=C(C)C)C(C)C
InChIInChI=1S/C9H17N3/c1-7(2)9(8(3)4)11-6-12-10-5/h6-7H,1-5H3/b11-6+,12-10+
InChIKeyDSRAKIQHSAVBKU-BFPRWLMKSA-N
MW167.26 g/mol
LogP3.05
Rot. Bonds3

About N'-(2,4-dimethylpent-2-en-3-yl)-N-methyliminomethanimidamide

N'-(2,4-dimethylpent-2-en-3-yl)-N-methyliminomethanimidamide (PubChem CID 166777872) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N'-(2,4-dimethylpent-2-en-3-yl)-N-methyliminomethanimidamide.

Molecular Properties

Compound NameN'-(2,4-dimethylpent-2-en-3-yl)-N-methyliminomethanimidamide
PubChem CID166777872
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN'-(2,4-dimethylpent-2-en-3-yl)-N-methyliminomethanimidamide
SMILESC/N=N/C=N/C(=C(C)C)C(C)C
InChIInChI=1S/C9H17N3/c1-7(2)9(8(3)4)11-6-12-10-5/h6-7H,1-5H3/b11-6+,12-10+
InChIKeyDSRAKIQHSAVBKU-BFPRWLMKSA-N
XLogP3.05
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

CID 118351973
CID 118351973
CID 123235169
CID 123235169
CID 135246476
CID 135246476
CID 154973119
CID 154973119

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dimethylpent-2-en-3-yl)-N-methyliminomethanimidamide?
The IUPAC name of N'-(2,4-dimethylpent-2-en-3-yl)-N-methyliminomethanimidamide (CID 166777872) is N'-(2,4-dimethylpent-2-en-3-yl)-N-methyliminomethanimidamide.
What is the SMILES notation for N'-(2,4-dimethylpent-2-en-3-yl)-N-methyliminomethanimidamide?
The canonical SMILES for N'-(2,4-dimethylpent-2-en-3-yl)-N-methyliminomethanimidamide is C/N=N/C=N/C(=C(C)C)C(C)C.
What is the InChIKey of N'-(2,4-dimethylpent-2-en-3-yl)-N-methyliminomethanimidamide?
The InChIKey is DSRAKIQHSAVBKU-BFPRWLMKSA-N. The full InChI is InChI=1S/C9H17N3/c1-7(2)9(8(3)4)11-6-12-10-5/h6-7H,1-5H3/b11-6+,12-10+.
What are the key properties of N'-(2,4-dimethylpent-2-en-3-yl)-N-methyliminomethanimidamide?
N'-(2,4-dimethylpent-2-en-3-yl)-N-methyliminomethanimidamide has a molecular weight of 167.26 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dimethylpent-2-en-3-yl)-N-methyliminomethanimidamide is sourced from PubChem (CID 166777872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).