3-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methylpentan-1-ol

C9H19N3O — CID 106174981

IUPAC3-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methylpentan-1-ol
SMILESCCC(C)(CCO)NC1=NCCN1
InChIInChI=1S/C9H19N3O/c1-3-9(2,4-7-13)12-8-10-5-6-11-8/h13H,3-7H2,1-2H3,(H2,10,11,12)
InChIKeyPSNVLHNPLDQDIO-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.09
Rot. Bonds4

About 3-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methylpentan-1-ol

3-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methylpentan-1-ol (PubChem CID 106174981) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methylpentan-1-ol.

Molecular Properties

Compound Name3-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methylpentan-1-ol
PubChem CID106174981
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name3-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methylpentan-1-ol
SMILESCCC(C)(CCO)NC1=NCCN1
InChIInChI=1S/C9H19N3O/c1-3-9(2,4-7-13)12-8-10-5-6-11-8/h13H,3-7H2,1-2H3,(H2,10,11,12)
InChIKeyPSNVLHNPLDQDIO-UHFFFAOYSA-N
XLogP0.09
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-2-ethylbutan-1-ol
CID 103842905
1-(1-Hydroxy-3-methylpentan-3-yl)-2-(2-methylpropyl)guanidine
CID 106173665
2-Cyclopentyl-1-(1-hydroxy-3-methylpentan-3-yl)guanidine
CID 106173666
2-Ethyl-1-(1-hydroxy-3-methylpentan-3-yl)guanidine
CID 106173668
1-(1-Hydroxy-3-methylpentan-3-yl)-2-propan-2-ylguanidine
CID 106173669
1-(1-Hydroxy-3-methylpentan-3-yl)-2-methylguanidine
CID 106173672
1-(1-Hydroxy-3-methylpentan-3-yl)-2-propylguanidine
CID 106173673
[4-(4,5-dihydro-1H-imidazol-2-ylamino)oxan-4-yl]methanol
CID 106297490
3-(4,5-dihydro-1H-imidazol-2-ylamino)-4-methylpentan-1-ol
CID 106349398
3-(4,5-dihydro-1H-imidazol-2-ylamino)-4,4-dimethylpentan-1-ol
CID 106349552
2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-ethylpropane-1,3-diol
CID 107865194
1-Butan-2-yl-3-ethyl-2-[2-ethyl-2-(hydroxymethyl)butyl]guanidine
CID 112443211

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methylpentan-1-ol?
The IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methylpentan-1-ol (CID 106174981) is 3-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methylpentan-1-ol.
What is the SMILES notation for 3-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methylpentan-1-ol?
The canonical SMILES for 3-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methylpentan-1-ol is CCC(C)(CCO)NC1=NCCN1.
What is the InChIKey of 3-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methylpentan-1-ol?
The InChIKey is PSNVLHNPLDQDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-3-9(2,4-7-13)12-8-10-5-6-11-8/h13H,3-7H2,1-2H3,(H2,10,11,12).
What are the key properties of 3-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methylpentan-1-ol?
3-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methylpentan-1-ol has a molecular weight of 185.27 g/mol, XLogP of 0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methylpentan-1-ol is sourced from PubChem (CID 106174981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).