N,N-dimethyl-1-[1-[(2-methylpropan-2-yl)oxymethyl]cyclohexyl]methanamine

C14H29NO — CID 155793886

IUPACN,N-dimethyl-1-[1-[(2-methylpropan-2-yl)oxymethyl]cyclohexyl]methanamine
SMILESCN(C)CC1(COC(C)(C)C)CCCCC1
InChIInChI=1S/C14H29NO/c1-13(2,3)16-12-14(11-15(4)5)9-7-6-8-10-14/h6-12H2,1-5H3
InChIKeyKTXBDVYEQUCFFT-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.31
Rot. Bonds4

About N,N-dimethyl-1-[1-[(2-methylpropan-2-yl)oxymethyl]cyclohexyl]methanamine

N,N-dimethyl-1-[1-[(2-methylpropan-2-yl)oxymethyl]cyclohexyl]methanamine (PubChem CID 155793886) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N,N-dimethyl-1-[1-[(2-methylpropan-2-yl)oxymethyl]cyclohexyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[1-[(2-methylpropan-2-yl)oxymethyl]cyclohexyl]methanamine
PubChem CID155793886
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN,N-dimethyl-1-[1-[(2-methylpropan-2-yl)oxymethyl]cyclohexyl]methanamine
SMILESCN(C)CC1(COC(C)(C)C)CCCCC1
InChIInChI=1S/C14H29NO/c1-13(2,3)16-12-14(11-15(4)5)9-7-6-8-10-14/h6-12H2,1-5H3
InChIKeyKTXBDVYEQUCFFT-UHFFFAOYSA-N
XLogP3.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-1-[(2-methylpropan-2-yl)oxymethyl]cyclohexan-1-amine
CID 155794114
N-ethyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]ethanamine
CID 155793897
1-[4-[(2-methylpropan-2-yl)oxy]butyl]-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane
CID 70930204
1,1-bis(tert-butylperoxymethyl)cyclododecane
CID 140561701
1-(6,6-dimethylheptyl)-1-[(2-methylpropan-2-yl)oxymethyl]cyclopentane
CID 70930014
1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]methyl]azetidine
CID 171611844
1-[(2-methylpropan-2-yl)oxymethyl]cyclobutan-1-amine
CID 130564464
N-methyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexyl]methanamine
CID 112591475
N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexyl]methyl]ethanamine
CID 112591476
1-methyl-3,3-bis[(2-methylpropan-2-yl)oxymethyl]azetidine
CID 167387398
1-(bromomethyl)-1-(2-methylbutan-2-yloxymethyl)cycloheptane
CID 65010010
1-(bromomethyl)-1-(2-methylbutan-2-yloxymethyl)cyclohexane
CID 65002451

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[1-[(2-methylpropan-2-yl)oxymethyl]cyclohexyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[1-[(2-methylpropan-2-yl)oxymethyl]cyclohexyl]methanamine (CID 155793886) is N,N-dimethyl-1-[1-[(2-methylpropan-2-yl)oxymethyl]cyclohexyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[1-[(2-methylpropan-2-yl)oxymethyl]cyclohexyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[1-[(2-methylpropan-2-yl)oxymethyl]cyclohexyl]methanamine is CN(C)CC1(COC(C)(C)C)CCCCC1.
What is the InChIKey of N,N-dimethyl-1-[1-[(2-methylpropan-2-yl)oxymethyl]cyclohexyl]methanamine?
The InChIKey is KTXBDVYEQUCFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-13(2,3)16-12-14(11-15(4)5)9-7-6-8-10-14/h6-12H2,1-5H3.
What are the key properties of N,N-dimethyl-1-[1-[(2-methylpropan-2-yl)oxymethyl]cyclohexyl]methanamine?
N,N-dimethyl-1-[1-[(2-methylpropan-2-yl)oxymethyl]cyclohexyl]methanamine has a molecular weight of 227.39 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[1-[(2-methylpropan-2-yl)oxymethyl]cyclohexyl]methanamine is sourced from PubChem (CID 155793886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).