[1-[[[2-(dimethylamino)-3-methylbutyl]amino]methyl]cyclohexyl]methanol

C15H32N2O — CID 81412012

IUPAC[1-[[[2-(dimethylamino)-3-methylbutyl]amino]methyl]cyclohexyl]methanol
SMILESCC(C)C(CNCC1(CO)CCCCC1)N(C)C
InChIInChI=1S/C15H32N2O/c1-13(2)14(17(3)4)10-16-11-15(12-18)8-6-5-7-9-15/h13-14,16,18H,5-12H2,1-4H3
InChIKeyUJXARKPPBFHJNA-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.11
Rot. Bonds7

About [1-[[[2-(dimethylamino)-3-methylbutyl]amino]methyl]cyclohexyl]methanol

[1-[[[2-(dimethylamino)-3-methylbutyl]amino]methyl]cyclohexyl]methanol (PubChem CID 81412012) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is [1-[[[2-(dimethylamino)-3-methylbutyl]amino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[[2-(dimethylamino)-3-methylbutyl]amino]methyl]cyclohexyl]methanol
PubChem CID81412012
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name[1-[[[2-(dimethylamino)-3-methylbutyl]amino]methyl]cyclohexyl]methanol
SMILESCC(C)C(CNCC1(CO)CCCCC1)N(C)C
InChIInChI=1S/C15H32N2O/c1-13(2)14(17(3)4)10-16-11-15(12-18)8-6-5-7-9-15/h13-14,16,18H,5-12H2,1-4H3
InChIKeyUJXARKPPBFHJNA-UHFFFAOYSA-N
XLogP2.11
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(2-ethylbutylamino)methyl]cyclohexyl]methanol
CID 112703676
methyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]acetate
CID 81411374
[1-[[(2-methyl-3-piperidin-1-ylpropyl)amino]methyl]cyclohexyl]methanol
CID 81419423
1-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106990396
methyl 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]acetate
CID 115359540
2-[1-[2-[[2-(dimethylamino)-3-methylbutyl]amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61069840
2-[1-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)-3-methylbutyl]acetamide
CID 104677954
[1-[[4-(dimethylamino)butylamino]methyl]cyclohexyl]methanol
CID 81419638
1-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]cycloheptan-1-ol
CID 115359618
[1-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexyl]methanol
CID 62271498
[1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclopentyl]methanol
CID 115359624
1-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2,3-dimethylbutan-2-ol
CID 114493450

Frequently Asked Questions

What is the IUPAC name of [1-[[[2-(dimethylamino)-3-methylbutyl]amino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[[2-(dimethylamino)-3-methylbutyl]amino]methyl]cyclohexyl]methanol (CID 81412012) is [1-[[[2-(dimethylamino)-3-methylbutyl]amino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[[2-(dimethylamino)-3-methylbutyl]amino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[[2-(dimethylamino)-3-methylbutyl]amino]methyl]cyclohexyl]methanol is CC(C)C(CNCC1(CO)CCCCC1)N(C)C.
What is the InChIKey of [1-[[[2-(dimethylamino)-3-methylbutyl]amino]methyl]cyclohexyl]methanol?
The InChIKey is UJXARKPPBFHJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-13(2)14(17(3)4)10-16-11-15(12-18)8-6-5-7-9-15/h13-14,16,18H,5-12H2,1-4H3.
What are the key properties of [1-[[[2-(dimethylamino)-3-methylbutyl]amino]methyl]cyclohexyl]methanol?
[1-[[[2-(dimethylamino)-3-methylbutyl]amino]methyl]cyclohexyl]methanol has a molecular weight of 256.43 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[[2-(dimethylamino)-3-methylbutyl]amino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 81412012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).