1-[(3-methoxybutan-2-ylamino)methyl]-4,4-dimethylcyclohexan-1-ol

C14H29NO2 — CID 113481682

IUPAC1-[(3-methoxybutan-2-ylamino)methyl]-4,4-dimethylcyclohexan-1-ol
SMILESCOC(C)C(C)NCC1(O)CCC(C)(C)CC1
InChIInChI=1S/C14H29NO2/c1-11(12(2)17-5)15-10-14(16)8-6-13(3,4)7-9-14/h11-12,15-16H,6-10H2,1-5H3
InChIKeyCGLRUXNOOCSIAC-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.33
Rot. Bonds5

About 1-[(3-methoxybutan-2-ylamino)methyl]-4,4-dimethylcyclohexan-1-ol

1-[(3-methoxybutan-2-ylamino)methyl]-4,4-dimethylcyclohexan-1-ol (PubChem CID 113481682) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-[(3-methoxybutan-2-ylamino)methyl]-4,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(3-methoxybutan-2-ylamino)methyl]-4,4-dimethylcyclohexan-1-ol
PubChem CID113481682
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name1-[(3-methoxybutan-2-ylamino)methyl]-4,4-dimethylcyclohexan-1-ol
SMILESCOC(C)C(C)NCC1(O)CCC(C)(C)CC1
InChIInChI=1S/C14H29NO2/c1-11(12(2)17-5)15-10-14(16)8-6-13(3,4)7-9-14/h11-12,15-16H,6-10H2,1-5H3
InChIKeyCGLRUXNOOCSIAC-UHFFFAOYSA-N
XLogP2.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(3-methoxybutan-2-ylamino)methyl]-4,4-dimethylcyclohexan-1-ol with MolForge

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Related Compounds

4-Methyl-1-[[1-(oxolan-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 75504707
Cyclohexanol, 1-[[(1,4-dimethylpentyl)amino]methyl]-4,4-dimethyl-
CID 65116794
4,4-Dimethyl-1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol
CID 65120554
4,4-Dimethyl-1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclohexan-1-ol
CID 65120559
4,4-Dimethyl-1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-ol
CID 65120803
4,4-Dimethyl-1-[[2-(trifluoromethoxy)ethylamino]methyl]cyclohexan-1-ol
CID 65805410
trans-(1R,2R)-2-[(3,3-difluoro-2-hydroxy-2-methylpropyl)amino]-4,4-dimethylcyclohexan-1-ol
CID 138052864
2-[(1-Hydroxy-4-methylcyclohexyl)methylamino]propane-1,3-diol
CID 21302983
6-Tert-butyl-2,4-dimethyl-3-(methylamino)oxan-4-ol
CID 59817360
4,4-Dimethyl-1-[(propan-2-ylamino)methyl]cyclohexan-1-ol
CID 64400963
1-[(1-Hydroxypropan-2-ylamino)methyl]-4-methylcyclohexan-1-ol
CID 142967746
N-[(4-ethyl-1-propan-2-yloxycyclohexyl)methyl]propan-2-amine
CID 55036749

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxybutan-2-ylamino)methyl]-4,4-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[(3-methoxybutan-2-ylamino)methyl]-4,4-dimethylcyclohexan-1-ol (CID 113481682) is 1-[(3-methoxybutan-2-ylamino)methyl]-4,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[(3-methoxybutan-2-ylamino)methyl]-4,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[(3-methoxybutan-2-ylamino)methyl]-4,4-dimethylcyclohexan-1-ol is COC(C)C(C)NCC1(O)CCC(C)(C)CC1.
What is the InChIKey of 1-[(3-methoxybutan-2-ylamino)methyl]-4,4-dimethylcyclohexan-1-ol?
The InChIKey is CGLRUXNOOCSIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-11(12(2)17-5)15-10-14(16)8-6-13(3,4)7-9-14/h11-12,15-16H,6-10H2,1-5H3.
What are the key properties of 1-[(3-methoxybutan-2-ylamino)methyl]-4,4-dimethylcyclohexan-1-ol?
1-[(3-methoxybutan-2-ylamino)methyl]-4,4-dimethylcyclohexan-1-ol has a molecular weight of 243.39 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxybutan-2-ylamino)methyl]-4,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 113481682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).