N,N-dimethyl-1-[3-(2-methylpropoxy)cyclohexyl]methanamine

C13H27NO — CID 139741207

IUPACN,N-dimethyl-1-[3-(2-methylpropoxy)cyclohexyl]methanamine
SMILESCC(C)COC1CCCC(CN(C)C)C1
InChIInChI=1S/C13H27NO/c1-11(2)10-15-13-7-5-6-12(8-13)9-14(3)4/h11-13H,5-10H2,1-4H3
InChIKeyLBCKLDQVVIWCCK-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.78
Rot. Bonds5

About N,N-dimethyl-1-[3-(2-methylpropoxy)cyclohexyl]methanamine

N,N-dimethyl-1-[3-(2-methylpropoxy)cyclohexyl]methanamine (PubChem CID 139741207) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N,N-dimethyl-1-[3-(2-methylpropoxy)cyclohexyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[3-(2-methylpropoxy)cyclohexyl]methanamine
PubChem CID139741207
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN,N-dimethyl-1-[3-(2-methylpropoxy)cyclohexyl]methanamine
SMILESCC(C)COC1CCCC(CN(C)C)C1
InChIInChI=1S/C13H27NO/c1-11(2)10-15-13-7-5-6-12(8-13)9-14(3)4/h11-13H,5-10H2,1-4H3
InChIKeyLBCKLDQVVIWCCK-UHFFFAOYSA-N
XLogP2.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S,3S)-3-hydroxycyclohexyl]methyl-trimethylazanium iodide
CID 118719148
[(1S,3R)-3-hydroxycyclohexyl]methyl-trimethylazanium iodide
CID 118719150
[(1S,3S)-3-hydroxycyclohexyl]methyl-trimethylazanium
CID 118719149
[(1S,3R)-3-hydroxycyclohexyl]methyl-trimethylazanium
CID 118719151
Carbanide;methyl-[2-(4-propoxycyclohexyl)ethyl]azanide;tungsten(2+)
CID 23395973
N-ethyl-N-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)ethanamine
CID 57647826
1-(3-methoxycyclohexyl)-N-methylmethanamine
CID 64105933
3-[(Dimethylamino)methyl]cyclohexan-1-ol
CID 78066019
3-(2-Methoxypropyl)-1-methylpiperidine
CID 89119957
3-(Diethylaminomethyl)cyclohexan-1-ol
CID 89194894
3-(cyclohexylmethoxy)-N-methyl-N-propylbutan-1-amine
CID 91126672
1-[4-(methoxymethyl)cyclohexyl]-N,N-dimethylmethanamine
CID 122692328

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[3-(2-methylpropoxy)cyclohexyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[3-(2-methylpropoxy)cyclohexyl]methanamine (CID 139741207) is N,N-dimethyl-1-[3-(2-methylpropoxy)cyclohexyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[3-(2-methylpropoxy)cyclohexyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[3-(2-methylpropoxy)cyclohexyl]methanamine is CC(C)COC1CCCC(CN(C)C)C1.
What is the InChIKey of N,N-dimethyl-1-[3-(2-methylpropoxy)cyclohexyl]methanamine?
The InChIKey is LBCKLDQVVIWCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-11(2)10-15-13-7-5-6-12(8-13)9-14(3)4/h11-13H,5-10H2,1-4H3.
What are the key properties of N,N-dimethyl-1-[3-(2-methylpropoxy)cyclohexyl]methanamine?
N,N-dimethyl-1-[3-(2-methylpropoxy)cyclohexyl]methanamine has a molecular weight of 213.36 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[3-(2-methylpropoxy)cyclohexyl]methanamine is sourced from PubChem (CID 139741207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).