N-(2-methylidenebutyl)-4,5-dihydro-1H-imidazol-2-amine

C8H15N3 — CID 91169175

IUPACN-(2-methylidenebutyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESC=C(CC)CNC1=NCCN1
InChIInChI=1S/C8H15N3/c1-3-7(2)6-11-8-9-4-5-10-8/h2-6H2,1H3,(H2,9,10,11)
InChIKeyRNGDXLRZYJTOER-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.50
Rot. Bonds3

About N-(2-methylidenebutyl)-4,5-dihydro-1H-imidazol-2-amine

N-(2-methylidenebutyl)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 91169175) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is N-(2-methylidenebutyl)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(2-methylidenebutyl)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID91169175
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC NameN-(2-methylidenebutyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESC=C(CC)CNC1=NCCN1
InChIInChI=1S/C8H15N3/c1-3-7(2)6-11-8-9-4-5-10-8/h2-6H2,1H3,(H2,9,10,11)
InChIKeyRNGDXLRZYJTOER-UHFFFAOYSA-N
XLogP0.50
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylbut-2-enyl)-4,5-dihydro-1H-imidazol-2-amine
CID 426167
N,N'-diisopentenylguanidine
CID 91369226
1,2,3-Tris(3-methylbut-3-enyl)guanidine
CID 91504539
d6-n6-Isopentenyladenine
CID 156620324
2-Methyl-1-(2-methylidenebutyl)guanidine
CID 130672906
2-Methyl-1-(3-methylbut-3-enyl)guanidine
CID 130948714
6-ethylimino-2-(2-methylprop-2-enyl)-2,5-dihydro-1H-1,3,5-triazin-4-amine
CID 137154658
N-[2-(methylideneamino)ethyl]-N'-(2-methylidenebutyl)methanimidamide
CID 163971310
5-prop-1-en-2-yl-4,5-dihydro-1H-imidazole
CID 166905899
N-(2-methylprop-2-enyl)-4,5-dihydro-1H-imidazol-2-amine
CID 114616713
N-(2-methylidenebutyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 126987116
1-Ethyl-2-methyl-3-(2-methylprop-2-enyl)guanidine
CID 130715004

Frequently Asked Questions

What is the IUPAC name of N-(2-methylidenebutyl)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-(2-methylidenebutyl)-4,5-dihydro-1H-imidazol-2-amine (CID 91169175) is N-(2-methylidenebutyl)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-(2-methylidenebutyl)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-(2-methylidenebutyl)-4,5-dihydro-1H-imidazol-2-amine is C=C(CC)CNC1=NCCN1.
What is the InChIKey of N-(2-methylidenebutyl)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is RNGDXLRZYJTOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-3-7(2)6-11-8-9-4-5-10-8/h2-6H2,1H3,(H2,9,10,11).
What are the key properties of N-(2-methylidenebutyl)-4,5-dihydro-1H-imidazol-2-amine?
N-(2-methylidenebutyl)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 153.23 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylidenebutyl)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 91169175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).