2-(1H-imidazol-5-ylmethylamino)-3-methylbutan-1-ol

C9H17N3O — CID 79254560

IUPAC2-(1H-imidazol-5-ylmethylamino)-3-methylbutan-1-ol
SMILESCC(C)C(CO)NCc1cnc[nH]1
InChIInChI=1S/C9H17N3O/c1-7(2)9(5-13)11-4-8-3-10-6-12-8/h3,6-7,9,11,13H,4-5H2,1-2H3,(H,10,12)
InChIKeyCIGRNBGBZCPAES-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.52
Rot. Bonds5

About 2-(1H-imidazol-5-ylmethylamino)-3-methylbutan-1-ol

2-(1H-imidazol-5-ylmethylamino)-3-methylbutan-1-ol (PubChem CID 79254560) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-(1H-imidazol-5-ylmethylamino)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(1H-imidazol-5-ylmethylamino)-3-methylbutan-1-ol
PubChem CID79254560
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2-(1H-imidazol-5-ylmethylamino)-3-methylbutan-1-ol
SMILESCC(C)C(CO)NCc1cnc[nH]1
InChIInChI=1S/C9H17N3O/c1-7(2)9(5-13)11-4-8-3-10-6-12-8/h3,6-7,9,11,13H,4-5H2,1-2H3,(H,10,12)
InChIKeyCIGRNBGBZCPAES-UHFFFAOYSA-N
XLogP0.52
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-imidazol-5-ylmethylamino)-2-methylsulfanylbutan-1-ol
CID 115642715
2-(1H-imidazol-5-ylmethylamino)-N,3-dimethylbutanamide
CID 115747411
methyl (2S)-2-(1H-imidazol-5-ylmethylamino)propanoate
CID 62763548
N-(1H-imidazol-5-ylmethyl)-4-methylsulfanylbutan-2-amine
CID 115639983
N-(1H-imidazol-5-ylmethyl)-1-(1-methylcyclopropyl)ethanamine
CID 63000739
(1R)-N-(1H-imidazol-5-ylmethyl)-1-phenylethanamine
CID 63714042
ethyl 2-(1H-imidazol-5-ylmethylamino)propanoate
CID 62761601
1-(1H-imidazol-5-yl)-N-methylmethanamine
CID 20675588
(2S)-2-(1H-imidazol-5-ylmethylamino)-3-phenylpropan-1-ol
CID 102610097
1-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)-2-methylpropan-1-amine
CID 55109309
(2R)-2-amino-N-(1H-imidazol-5-ylmethyl)-3-methylbutanamide
CID 79014032
1-N-ethyl-2-N-(1H-imidazol-5-ylmethyl)-1-N-methylpropane-1,2-diamine
CID 103110027

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-ylmethylamino)-3-methylbutan-1-ol?
The IUPAC name of 2-(1H-imidazol-5-ylmethylamino)-3-methylbutan-1-ol (CID 79254560) is 2-(1H-imidazol-5-ylmethylamino)-3-methylbutan-1-ol.
What is the SMILES notation for 2-(1H-imidazol-5-ylmethylamino)-3-methylbutan-1-ol?
The canonical SMILES for 2-(1H-imidazol-5-ylmethylamino)-3-methylbutan-1-ol is CC(C)C(CO)NCc1cnc[nH]1.
What is the InChIKey of 2-(1H-imidazol-5-ylmethylamino)-3-methylbutan-1-ol?
The InChIKey is CIGRNBGBZCPAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-7(2)9(5-13)11-4-8-3-10-6-12-8/h3,6-7,9,11,13H,4-5H2,1-2H3,(H,10,12).
What are the key properties of 2-(1H-imidazol-5-ylmethylamino)-3-methylbutan-1-ol?
2-(1H-imidazol-5-ylmethylamino)-3-methylbutan-1-ol has a molecular weight of 183.25 g/mol, XLogP of 0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-ylmethylamino)-3-methylbutan-1-ol is sourced from PubChem (CID 79254560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).