5-(1H-imidazol-5-ylmethylamino)-4,4-dimethylpentan-1-ol

C11H21N3O — CID 103897627

IUPAC5-(1H-imidazol-5-ylmethylamino)-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CNCc1cnc[nH]1
InChIInChI=1S/C11H21N3O/c1-11(2,4-3-5-15)8-12-6-10-7-13-9-14-10/h7,9,12,15H,3-6,8H2,1-2H3,(H,13,14)
InChIKeyHNOMEJQDYNHQBO-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.30
Rot. Bonds7

About 5-(1H-imidazol-5-ylmethylamino)-4,4-dimethylpentan-1-ol

5-(1H-imidazol-5-ylmethylamino)-4,4-dimethylpentan-1-ol (PubChem CID 103897627) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 5-(1H-imidazol-5-ylmethylamino)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-(1H-imidazol-5-ylmethylamino)-4,4-dimethylpentan-1-ol
PubChem CID103897627
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name5-(1H-imidazol-5-ylmethylamino)-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CNCc1cnc[nH]1
InChIInChI=1S/C11H21N3O/c1-11(2,4-3-5-15)8-12-6-10-7-13-9-14-10/h7,9,12,15H,3-6,8H2,1-2H3,(H,13,14)
InChIKeyHNOMEJQDYNHQBO-UHFFFAOYSA-N
XLogP1.30
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-imidazol-5-ylmethyl)-4-methoxy-2,2-dimethylbutan-1-amine
CID 104625163
4,4-dimethyl-5-[(4-methylphenyl)methylamino]pentan-1-ol
CID 103897567
N-(1H-imidazol-5-ylmethyl)-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine
CID 55109545
5-[(4-bromophenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897822
3-fluoro-N-(1H-imidazol-5-ylmethyl)propan-1-amine
CID 115733016
N-(1H-imidazol-5-ylmethyl)prop-2-yn-1-amine
CID 62762970
4,4-dimethyl-5-(quinoxalin-2-ylmethylamino)pentan-1-ol
CID 106144835
5-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol
CID 106147208
1-(1H-imidazol-5-yl)-N-methylmethanamine
CID 20675588
3,3-dimethyl-4-(pyrimidin-5-ylmethylamino)butan-1-ol
CID 103708150
5-(1H-indol-5-ylmethylamino)-4,4-dimethylpentan-1-ol
CID 106144224
2,6-difluoro-4-[[(5-hydroxy-2,2-dimethylpentyl)amino]methyl]phenol
CID 103897773

Frequently Asked Questions

What is the IUPAC name of 5-(1H-imidazol-5-ylmethylamino)-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-(1H-imidazol-5-ylmethylamino)-4,4-dimethylpentan-1-ol (CID 103897627) is 5-(1H-imidazol-5-ylmethylamino)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-(1H-imidazol-5-ylmethylamino)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-(1H-imidazol-5-ylmethylamino)-4,4-dimethylpentan-1-ol is CC(C)(CCCO)CNCc1cnc[nH]1.
What is the InChIKey of 5-(1H-imidazol-5-ylmethylamino)-4,4-dimethylpentan-1-ol?
The InChIKey is HNOMEJQDYNHQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-11(2,4-3-5-15)8-12-6-10-7-13-9-14-10/h7,9,12,15H,3-6,8H2,1-2H3,(H,13,14).
What are the key properties of 5-(1H-imidazol-5-ylmethylamino)-4,4-dimethylpentan-1-ol?
5-(1H-imidazol-5-ylmethylamino)-4,4-dimethylpentan-1-ol has a molecular weight of 211.31 g/mol, XLogP of 1.30, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-imidazol-5-ylmethylamino)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 103897627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).