2-[[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]methyl]cyclohexan-1-ol

C14H26N4O — CID 64929661

IUPAC2-[[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]methyl]cyclohexan-1-ol
SMILESCN(C)c1ncc(CNCC2CCCCC2O)n1C
InChIInChI=1S/C14H26N4O/c1-17(2)14-16-10-12(18(14)3)9-15-8-11-6-4-5-7-13(11)19/h10-11,13,15,19H,4-9H2,1-3H3
InChIKeyKCMTXXMYRRFJBJ-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.13
Rot. Bonds5

About 2-[[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]methyl]cyclohexan-1-ol

2-[[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]methyl]cyclohexan-1-ol (PubChem CID 64929661) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-[[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]methyl]cyclohexan-1-ol
PubChem CID64929661
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-[[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]methyl]cyclohexan-1-ol
SMILESCN(C)c1ncc(CNCC2CCCCC2O)n1C
InChIInChI=1S/C14H26N4O/c1-17(2)14-16-10-12(18(14)3)9-15-8-11-6-4-5-7-13(11)19/h10-11,13,15,19H,4-9H2,1-3H3
InChIKeyKCMTXXMYRRFJBJ-UHFFFAOYSA-N
XLogP1.13
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

3-(4-Aminomethyl-imidazol-1-yl)-nonan-2-ol
CID 14888769
1-[1-(1H-imidazol-4-ylmethyl)-4-piperidinyl]-3-methyl-1-butanol
CID 70723789
(1S*,2R*)-2-[[(1-isopropyl-1H-imidazol-5-yl)methyl](methyl)amino]cyclohexanol
CID 74245680
(4aS*,8aS*)-2-[(1-methyl-1H-imidazol-5-yl)methyl]octahydroisoquinolin-4a(2H)-ol
CID 77093158
[(3S)-1-[(3-methylimidazol-4-yl)methyl]-3-propylpiperidin-3-yl]methanol
CID 99939521
4-[[2-(Dimethylamino)-3-methylimidazol-4-yl]methylamino]-1-methylcyclohexan-1-ol
CID 137997809
5-[[[(1S,2S)-2-methoxycyclohexyl]amino]methyl]-N,N,1-trimethylimidazol-2-amine
CID 137998792
2-Hydroxy-1-(4-methylimidazol-1-yl)-N-methylcyclohexanecarbothioamide
CID 19972905
2-Hydroxy-1-[(4-methylimidazol-1-yl)methyl]cyclohexane-1-carbothioamide
CID 56989699
3-[cyclohexylmethyl(1H-imidazol-5-ylmethyl)amino]propan-1-ol
CID 118173692
3-(1H-imidazol-5-ylmethyl)-3-azaspiro[5.5]undecan-9-ol
CID 128570271
trans-(1S,2S)-2-[(1-methylimidazol-4-yl)methylamino]cyclohexan-1-ol
CID 172725977

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]methyl]cyclohexan-1-ol (CID 64929661) is 2-[[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]methyl]cyclohexan-1-ol is CN(C)c1ncc(CNCC2CCCCC2O)n1C.
What is the InChIKey of 2-[[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]methyl]cyclohexan-1-ol?
The InChIKey is KCMTXXMYRRFJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-17(2)14-16-10-12(18(14)3)9-15-8-11-6-4-5-7-13(11)19/h10-11,13,15,19H,4-9H2,1-3H3.
What are the key properties of 2-[[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]methyl]cyclohexan-1-ol?
2-[[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]methyl]cyclohexan-1-ol has a molecular weight of 266.39 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 64929661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).