N-tert-butyl-5-[2-methyl-2-(oxetan-3-ylmethylamino)propyl]-1H-imidazol-2-amine

C15H28N4O — CID 134340319

IUPACN-tert-butyl-5-[2-methyl-2-(oxetan-3-ylmethylamino)propyl]-1H-imidazol-2-amine
SMILESCC(C)(C)Nc1ncc(CC(C)(C)NCC2COC2)[nH]1
InChIInChI=1S/C15H28N4O/c1-14(2,3)19-13-16-8-12(18-13)6-15(4,5)17-7-11-9-20-10-11/h8,11,17H,6-7,9-10H2,1-5H3,(H2,16,18,19)
InChIKeyJWAPTCJLFHDNSQ-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.18
Rot. Bonds6

About N-tert-butyl-5-[2-methyl-2-(oxetan-3-ylmethylamino)propyl]-1H-imidazol-2-amine

N-tert-butyl-5-[2-methyl-2-(oxetan-3-ylmethylamino)propyl]-1H-imidazol-2-amine (PubChem CID 134340319) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is N-tert-butyl-5-[2-methyl-2-(oxetan-3-ylmethylamino)propyl]-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-tert-butyl-5-[2-methyl-2-(oxetan-3-ylmethylamino)propyl]-1H-imidazol-2-amine
PubChem CID134340319
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC NameN-tert-butyl-5-[2-methyl-2-(oxetan-3-ylmethylamino)propyl]-1H-imidazol-2-amine
SMILESCC(C)(C)Nc1ncc(CC(C)(C)NCC2COC2)[nH]1
InChIInChI=1S/C15H28N4O/c1-14(2,3)19-13-16-8-12(18-13)6-15(4,5)17-7-11-9-20-10-11/h8,11,17H,6-7,9-10H2,1-5H3,(H2,16,18,19)
InChIKeyJWAPTCJLFHDNSQ-UHFFFAOYSA-N
XLogP2.18
TPSA61.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-5-[2-methyl-2-(oxetan-3-ylmethylamino)propyl]-1H-imidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-[2-methyl-2-(oxetan-3-ylmethylamino)propyl]-1H-imidazol-2-amine?
The IUPAC name of N-tert-butyl-5-[2-methyl-2-(oxetan-3-ylmethylamino)propyl]-1H-imidazol-2-amine (CID 134340319) is N-tert-butyl-5-[2-methyl-2-(oxetan-3-ylmethylamino)propyl]-1H-imidazol-2-amine.
What is the SMILES notation for N-tert-butyl-5-[2-methyl-2-(oxetan-3-ylmethylamino)propyl]-1H-imidazol-2-amine?
The canonical SMILES for N-tert-butyl-5-[2-methyl-2-(oxetan-3-ylmethylamino)propyl]-1H-imidazol-2-amine is CC(C)(C)Nc1ncc(CC(C)(C)NCC2COC2)[nH]1.
What is the InChIKey of N-tert-butyl-5-[2-methyl-2-(oxetan-3-ylmethylamino)propyl]-1H-imidazol-2-amine?
The InChIKey is JWAPTCJLFHDNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-14(2,3)19-13-16-8-12(18-13)6-15(4,5)17-7-11-9-20-10-11/h8,11,17H,6-7,9-10H2,1-5H3,(H2,16,18,19).
What are the key properties of N-tert-butyl-5-[2-methyl-2-(oxetan-3-ylmethylamino)propyl]-1H-imidazol-2-amine?
N-tert-butyl-5-[2-methyl-2-(oxetan-3-ylmethylamino)propyl]-1H-imidazol-2-amine has a molecular weight of 280.42 g/mol, XLogP of 2.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-[2-methyl-2-(oxetan-3-ylmethylamino)propyl]-1H-imidazol-2-amine is sourced from PubChem (CID 134340319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).