2-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-2-ethylbutan-1-ol

C10H21N3O — CID 103842905

IUPAC2-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNC1=NCCN1
InChIInChI=1S/C10H21N3O/c1-3-10(4-2,8-14)7-13-9-11-5-6-12-9/h14H,3-8H2,1-2H3,(H2,11,12,13)
InChIKeyMMAUKWBFMPHGEN-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.33
Rot. Bonds5

About 2-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-2-ethylbutan-1-ol

2-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-2-ethylbutan-1-ol (PubChem CID 103842905) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-2-ethylbutan-1-ol
PubChem CID103842905
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNC1=NCCN1
InChIInChI=1S/C10H21N3O/c1-3-10(4-2,8-14)7-13-9-11-5-6-12-9/h14H,3-8H2,1-2H3,(H2,11,12,13)
InChIKeyMMAUKWBFMPHGEN-UHFFFAOYSA-N
XLogP0.33
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-2-ethylbutan-1-ol 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 2-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-2-ethylbutan-1-ol (CID 103842905) is 2-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-2-ethylbutan-1-ol is CCC(CC)(CO)CNC1=NCCN1.
What is the InChIKey of 2-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-2-ethylbutan-1-ol?
The InChIKey is MMAUKWBFMPHGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-3-10(4-2,8-14)7-13-9-11-5-6-12-9/h14H,3-8H2,1-2H3,(H2,11,12,13).
What are the key properties of 2-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-2-ethylbutan-1-ol?
2-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-2-ethylbutan-1-ol has a molecular weight of 199.30 g/mol, XLogP of 0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 103842905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).