N-(1H-imidazol-5-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine

C13H24N4 — CID 55109451

IUPACN-(1H-imidazol-5-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine
SMILESCC1(C)CC(NCc2cnc[nH]2)CC(C)(C)N1
InChIInChI=1S/C13H24N4/c1-12(2)5-10(6-13(3,4)17-12)15-8-11-7-14-9-16-11/h7,9-10,15,17H,5-6,8H2,1-4H3,(H,14,16)
InChIKeyXBWWWGXDSDMRFR-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.81
Rot. Bonds3

About N-(1H-imidazol-5-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine

N-(1H-imidazol-5-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine (PubChem CID 55109451) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine
PubChem CID55109451
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-(1H-imidazol-5-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine
SMILESCC1(C)CC(NCc2cnc[nH]2)CC(C)(C)N1
InChIInChI=1S/C13H24N4/c1-12(2)5-10(6-13(3,4)17-12)15-8-11-7-14-9-16-11/h7,9-10,15,17H,5-6,8H2,1-4H3,(H,14,16)
InChIKeyXBWWWGXDSDMRFR-UHFFFAOYSA-N
XLogP1.81
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-imidazol-5-ylmethyl)-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79358490
N-(1H-imidazol-5-ylmethyl)-6-methylpiperidin-3-amine
CID 131219532
1-(1H-imidazol-5-yl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103724271
4-(1H-imidazol-5-ylmethylamino)-1-methylpyrrolidin-2-one
CID 130804951
N-[(3-cyclopropylimidazol-4-yl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 66162681
N-(1H-imidazol-5-ylmethyl)-1-prop-2-enylpiperidin-4-amine
CID 115616302
5-(1H-imidazol-5-ylmethylamino)-1-methylpiperidin-2-one
CID 64655747
1-(1H-imidazol-5-yl)-N-methylmethanamine
CID 20675588
N-(1H-imidazol-5-ylmethyl)-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428555
2,2,6,6-tetramethyl-N-(thiadiazol-4-ylmethyl)piperidin-4-amine
CID 43664031
N-(1H-imidazol-5-ylmethyl)-1-propylsulfonylpiperidin-4-amine
CID 62761764
N-(1H-imidazol-5-ylmethyl)-1-(1-methylcyclopropyl)ethanamine
CID 63000739

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine (CID 55109451) is N-(1H-imidazol-5-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine is CC1(C)CC(NCc2cnc[nH]2)CC(C)(C)N1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine?
The InChIKey is XBWWWGXDSDMRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-12(2)5-10(6-13(3,4)17-12)15-8-11-7-14-9-16-11/h7,9-10,15,17H,5-6,8H2,1-4H3,(H,14,16).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine?
N-(1H-imidazol-5-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine has a molecular weight of 236.36 g/mol, XLogP of 1.81, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine is sourced from PubChem (CID 55109451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).