N-[[1-(oxan-2-ylmethoxy)cyclohexyl]methyl]propan-2-amine

C16H31NO2 — CID 62106678

IUPACN-[[1-(oxan-2-ylmethoxy)cyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1(OCC2CCCCO2)CCCCC1
InChIInChI=1S/C16H31NO2/c1-14(2)17-13-16(9-5-3-6-10-16)19-12-15-8-4-7-11-18-15/h14-15,17H,3-13H2,1-2H3
InChIKeyBAFMXTYJLHIVTR-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.27
Rot. Bonds6

About N-[[1-(oxan-2-ylmethoxy)cyclohexyl]methyl]propan-2-amine

N-[[1-(oxan-2-ylmethoxy)cyclohexyl]methyl]propan-2-amine (PubChem CID 62106678) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is N-[[1-(oxan-2-ylmethoxy)cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(oxan-2-ylmethoxy)cyclohexyl]methyl]propan-2-amine
PubChem CID62106678
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC NameN-[[1-(oxan-2-ylmethoxy)cyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1(OCC2CCCCO2)CCCCC1
InChIInChI=1S/C16H31NO2/c1-14(2)17-13-16(9-5-3-6-10-16)19-12-15-8-4-7-11-18-15/h14-15,17H,3-13H2,1-2H3
InChIKeyBAFMXTYJLHIVTR-UHFFFAOYSA-N
XLogP3.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(iodomethyl)cyclohexyl]oxymethyl]oxane
CID 114772663
2-methyl-N-[[1-(oxolan-2-ylmethoxy)cyclohexyl]methyl]propan-2-amine
CID 62107941
N-[[1-(oxolan-2-ylmethoxy)cycloheptyl]methyl]cyclopropanamine
CID 55036625
N-[[1-(oxolan-2-ylmethoxy)cyclohexyl]methyl]cyclopropanamine
CID 62107940
N-[(1-cycloheptyloxycycloheptyl)methyl]propan-2-amine
CID 63473769
2-[[1-(iodomethyl)-3-methylcyclohexyl]oxymethyl]oxane
CID 114772658
4-(bromomethyl)-4-(oxan-2-ylmethoxy)oxane
CID 114772655
[1-(oxolan-2-ylmethoxy)-4-propan-2-ylcyclohexyl]methanamine
CID 62107413
N-[[1-(3-methoxypropoxy)cyclohexyl]methyl]propan-2-amine
CID 62106094
1-[1-(cycloheptylmethoxy)cyclohexyl]-N-methylmethanamine
CID 114248811
N-[[1-(2,2-difluoroethoxy)cyclohexyl]methyl]propan-2-amine
CID 82006256
1-[1-(cyclopentylmethoxy)cycloheptyl]-N-methylmethanamine
CID 66322900

Frequently Asked Questions

What is the IUPAC name of N-[[1-(oxan-2-ylmethoxy)cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(oxan-2-ylmethoxy)cyclohexyl]methyl]propan-2-amine (CID 62106678) is N-[[1-(oxan-2-ylmethoxy)cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(oxan-2-ylmethoxy)cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(oxan-2-ylmethoxy)cyclohexyl]methyl]propan-2-amine is CC(C)NCC1(OCC2CCCCO2)CCCCC1.
What is the InChIKey of N-[[1-(oxan-2-ylmethoxy)cyclohexyl]methyl]propan-2-amine?
The InChIKey is BAFMXTYJLHIVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-14(2)17-13-16(9-5-3-6-10-16)19-12-15-8-4-7-11-18-15/h14-15,17H,3-13H2,1-2H3.
What are the key properties of N-[[1-(oxan-2-ylmethoxy)cyclohexyl]methyl]propan-2-amine?
N-[[1-(oxan-2-ylmethoxy)cyclohexyl]methyl]propan-2-amine has a molecular weight of 269.43 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(oxan-2-ylmethoxy)cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 62106678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).