N'-methyl-N-[2-methyl-5-(methylamino)pent-1-en-3-ylidene]methanimidamide

C9H17N3 — CID 145386339

IUPACN'-methyl-N-[2-methyl-5-(methylamino)pent-1-en-3-ylidene]methanimidamide
SMILESC=C(C)/C(CCNC)=N/C=N/C
InChIInChI=1S/C9H17N3/c1-8(2)9(5-6-10-3)12-7-11-4/h7,10H,1,5-6H2,2-4H3/b11-7+,12-9+
InChIKeyIRGFCWNMKUTFGK-HNWKWBPYSA-N
MW167.26 g/mol
LogP1.27
Rot. Bonds5

About N'-methyl-N-[2-methyl-5-(methylamino)pent-1-en-3-ylidene]methanimidamide

N'-methyl-N-[2-methyl-5-(methylamino)pent-1-en-3-ylidene]methanimidamide (PubChem CID 145386339) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N'-methyl-N-[2-methyl-5-(methylamino)pent-1-en-3-ylidene]methanimidamide.

Molecular Properties

Compound NameN'-methyl-N-[2-methyl-5-(methylamino)pent-1-en-3-ylidene]methanimidamide
PubChem CID145386339
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN'-methyl-N-[2-methyl-5-(methylamino)pent-1-en-3-ylidene]methanimidamide
SMILESC=C(C)/C(CCNC)=N/C=N/C
InChIInChI=1S/C9H17N3/c1-8(2)9(5-6-10-3)12-7-11-4/h7,10H,1,5-6H2,2-4H3/b11-7+,12-9+
InChIKeyIRGFCWNMKUTFGK-HNWKWBPYSA-N
XLogP1.27
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N'-(2-iminoethyl)-N-(4-methylpent-4-enyl)methanimidamide
CID 123888400

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[2-methyl-5-(methylamino)pent-1-en-3-ylidene]methanimidamide?
The IUPAC name of N'-methyl-N-[2-methyl-5-(methylamino)pent-1-en-3-ylidene]methanimidamide (CID 145386339) is N'-methyl-N-[2-methyl-5-(methylamino)pent-1-en-3-ylidene]methanimidamide.
What is the SMILES notation for N'-methyl-N-[2-methyl-5-(methylamino)pent-1-en-3-ylidene]methanimidamide?
The canonical SMILES for N'-methyl-N-[2-methyl-5-(methylamino)pent-1-en-3-ylidene]methanimidamide is C=C(C)/C(CCNC)=N/C=N/C.
What is the InChIKey of N'-methyl-N-[2-methyl-5-(methylamino)pent-1-en-3-ylidene]methanimidamide?
The InChIKey is IRGFCWNMKUTFGK-HNWKWBPYSA-N. The full InChI is InChI=1S/C9H17N3/c1-8(2)9(5-6-10-3)12-7-11-4/h7,10H,1,5-6H2,2-4H3/b11-7+,12-9+.
What are the key properties of N'-methyl-N-[2-methyl-5-(methylamino)pent-1-en-3-ylidene]methanimidamide?
N'-methyl-N-[2-methyl-5-(methylamino)pent-1-en-3-ylidene]methanimidamide has a molecular weight of 167.26 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[2-methyl-5-(methylamino)pent-1-en-3-ylidene]methanimidamide is sourced from PubChem (CID 145386339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).