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

C11H19N3 — CID 54387507

IUPACN-(2,2-dicyclopropylethyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESC1CNC(NCC(C2CC2)C2CC2)=N1
InChIInChI=1S/C11H19N3/c1-2-8(1)10(9-3-4-9)7-14-11-12-5-6-13-11/h8-10H,1-7H2,(H2,12,13,14)
InChIKeyVEGSUAWDXLNDLK-UHFFFAOYSA-N
MW193.29 g/mol
LogP0.97
Rot. Bonds4

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

N-(2,2-dicyclopropylethyl)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 54387507) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-(2,2-dicyclopropylethyl)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(2,2-dicyclopropylethyl)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID54387507
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-(2,2-dicyclopropylethyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESC1CNC(NCC(C2CC2)C2CC2)=N1
InChIInChI=1S/C11H19N3/c1-2-8(1)10(9-3-4-9)7-14-11-12-5-6-13-11/h8-10H,1-7H2,(H2,12,13,14)
InChIKeyVEGSUAWDXLNDLK-UHFFFAOYSA-N
XLogP0.97
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dicyclopropylethyl)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-(2,2-dicyclopropylethyl)-4,5-dihydro-1H-imidazol-2-amine (CID 54387507) is N-(2,2-dicyclopropylethyl)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-(2,2-dicyclopropylethyl)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-(2,2-dicyclopropylethyl)-4,5-dihydro-1H-imidazol-2-amine is C1CNC(NCC(C2CC2)C2CC2)=N1.
What is the InChIKey of N-(2,2-dicyclopropylethyl)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is VEGSUAWDXLNDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-2-8(1)10(9-3-4-9)7-14-11-12-5-6-13-11/h8-10H,1-7H2,(H2,12,13,14).
What are the key properties of N-(2,2-dicyclopropylethyl)-4,5-dihydro-1H-imidazol-2-amine?
N-(2,2-dicyclopropylethyl)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 193.29 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dicyclopropylethyl)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 54387507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).