N-[[1-(1-ethoxypropan-2-yloxy)-4-methylcyclohexyl]methyl]cyclopropanamine

C16H31NO2 — CID 103490217

IUPACN-[[1-(1-ethoxypropan-2-yloxy)-4-methylcyclohexyl]methyl]cyclopropanamine
SMILESCCOCC(C)OC1(CNC2CC2)CCC(C)CC1
InChIInChI=1S/C16H31NO2/c1-4-18-11-14(3)19-16(12-17-15-5-6-15)9-7-13(2)8-10-16/h13-15,17H,4-12H2,1-3H3
InChIKeyNFPDUNXYFYGNAF-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.13
Rot. Bonds8

About N-[[1-(1-ethoxypropan-2-yloxy)-4-methylcyclohexyl]methyl]cyclopropanamine

N-[[1-(1-ethoxypropan-2-yloxy)-4-methylcyclohexyl]methyl]cyclopropanamine (PubChem CID 103490217) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is N-[[1-(1-ethoxypropan-2-yloxy)-4-methylcyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(1-ethoxypropan-2-yloxy)-4-methylcyclohexyl]methyl]cyclopropanamine
PubChem CID103490217
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC NameN-[[1-(1-ethoxypropan-2-yloxy)-4-methylcyclohexyl]methyl]cyclopropanamine
SMILESCCOCC(C)OC1(CNC2CC2)CCC(C)CC1
InChIInChI=1S/C16H31NO2/c1-4-18-11-14(3)19-16(12-17-15-5-6-15)9-7-13(2)8-10-16/h13-15,17H,4-12H2,1-3H3
InChIKeyNFPDUNXYFYGNAF-UHFFFAOYSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-ethoxypropan-2-yloxy)-4-methylcyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(1-ethoxypropan-2-yloxy)-4-methylcyclohexyl]methyl]cyclopropanamine (CID 103490217) is N-[[1-(1-ethoxypropan-2-yloxy)-4-methylcyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(1-ethoxypropan-2-yloxy)-4-methylcyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(1-ethoxypropan-2-yloxy)-4-methylcyclohexyl]methyl]cyclopropanamine is CCOCC(C)OC1(CNC2CC2)CCC(C)CC1.
What is the InChIKey of N-[[1-(1-ethoxypropan-2-yloxy)-4-methylcyclohexyl]methyl]cyclopropanamine?
The InChIKey is NFPDUNXYFYGNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-4-18-11-14(3)19-16(12-17-15-5-6-15)9-7-13(2)8-10-16/h13-15,17H,4-12H2,1-3H3.
What are the key properties of N-[[1-(1-ethoxypropan-2-yloxy)-4-methylcyclohexyl]methyl]cyclopropanamine?
N-[[1-(1-ethoxypropan-2-yloxy)-4-methylcyclohexyl]methyl]cyclopropanamine has a molecular weight of 269.43 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-ethoxypropan-2-yloxy)-4-methylcyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 103490217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).