N-[2-(methylideneamino)ethyl]-N'-(2-methylidenebutyl)methanimidamide

C9H17N3 — CID 163971310

IUPACN-[2-(methylideneamino)ethyl]-N'-(2-methylidenebutyl)methanimidamide
SMILESC=NCCN/C=N/CC(=C)CC
InChIInChI=1S/C9H17N3/c1-4-9(2)7-12-8-11-6-5-10-3/h8H,2-7H2,1H3,(H,11,12)
InChIKeySQFMPUVJWKBDMK-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.27
Rot. Bonds7

About N-[2-(methylideneamino)ethyl]-N'-(2-methylidenebutyl)methanimidamide

N-[2-(methylideneamino)ethyl]-N'-(2-methylidenebutyl)methanimidamide (PubChem CID 163971310) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N-[2-(methylideneamino)ethyl]-N'-(2-methylidenebutyl)methanimidamide.

Molecular Properties

Compound NameN-[2-(methylideneamino)ethyl]-N'-(2-methylidenebutyl)methanimidamide
PubChem CID163971310
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN-[2-(methylideneamino)ethyl]-N'-(2-methylidenebutyl)methanimidamide
SMILESC=NCCN/C=N/CC(=C)CC
InChIInChI=1S/C9H17N3/c1-4-9(2)7-12-8-11-6-5-10-3/h8H,2-7H2,1H3,(H,11,12)
InChIKeySQFMPUVJWKBDMK-UHFFFAOYSA-N
XLogP1.27
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N'-diisopentenylguanidine
CID 91369226
N-(2-methylidenebutyl)-4,5-dihydro-1H-imidazol-2-amine
CID 91169175
ethane;N-ethyl-N'-(2-methylprop-2-enyl)methanimidamide
CID 143326378
N-ethyl-N'-methylmethanimidamide;2,3,3-trimethylbut-1-ene
CID 144528328
5-prop-1-en-2-yl-4,5-dihydro-1H-imidazole
CID 166905899

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylideneamino)ethyl]-N'-(2-methylidenebutyl)methanimidamide?
The IUPAC name of N-[2-(methylideneamino)ethyl]-N'-(2-methylidenebutyl)methanimidamide (CID 163971310) is N-[2-(methylideneamino)ethyl]-N'-(2-methylidenebutyl)methanimidamide.
What is the SMILES notation for N-[2-(methylideneamino)ethyl]-N'-(2-methylidenebutyl)methanimidamide?
The canonical SMILES for N-[2-(methylideneamino)ethyl]-N'-(2-methylidenebutyl)methanimidamide is C=NCCN/C=N/CC(=C)CC.
What is the InChIKey of N-[2-(methylideneamino)ethyl]-N'-(2-methylidenebutyl)methanimidamide?
The InChIKey is SQFMPUVJWKBDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-4-9(2)7-12-8-11-6-5-10-3/h8H,2-7H2,1H3,(H,11,12).
What are the key properties of N-[2-(methylideneamino)ethyl]-N'-(2-methylidenebutyl)methanimidamide?
N-[2-(methylideneamino)ethyl]-N'-(2-methylidenebutyl)methanimidamide has a molecular weight of 167.26 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylideneamino)ethyl]-N'-(2-methylidenebutyl)methanimidamide is sourced from PubChem (CID 163971310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).