N-[2-cycloheptyloxy-1-(oxolan-3-yl)ethyl]propan-1-amine

C16H31NO2 — CID 104749186

IUPACN-[2-cycloheptyloxy-1-(oxolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(COC1CCCCCC1)C1CCOC1
InChIInChI=1S/C16H31NO2/c1-2-10-17-16(14-9-11-18-12-14)13-19-15-7-5-3-4-6-8-15/h14-17H,2-13H2,1H3
InChIKeyLJUBNJFOVKWZGK-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.13
Rot. Bonds7

About N-[2-cycloheptyloxy-1-(oxolan-3-yl)ethyl]propan-1-amine

N-[2-cycloheptyloxy-1-(oxolan-3-yl)ethyl]propan-1-amine (PubChem CID 104749186) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is N-[2-cycloheptyloxy-1-(oxolan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-cycloheptyloxy-1-(oxolan-3-yl)ethyl]propan-1-amine
PubChem CID104749186
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC NameN-[2-cycloheptyloxy-1-(oxolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(COC1CCCCCC1)C1CCOC1
InChIInChI=1S/C16H31NO2/c1-2-10-17-16(14-9-11-18-12-14)13-19-15-7-5-3-4-6-8-15/h14-17H,2-13H2,1H3
InChIKeyLJUBNJFOVKWZGK-UHFFFAOYSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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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Related Compounds

N-[2-cyclopentyloxy-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 113448527
N-[2-hexoxy-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 113448609
N-methyl-2-(4-methylcyclohexyl)oxy-1-(oxolan-3-yl)ethanamine
CID 113448579
N'-cycloheptyl-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine
CID 104744950
3-(oxan-2-yl)-1-(oxolan-3-yl)-N-propylpropan-1-amine
CID 115856676
N-[2-cyclohexylsulfinyl-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104754712
N-[2-[(2-methylpropan-2-yl)oxy]-1-(oxan-3-yl)ethyl]propan-1-amine
CID 107139090
1-cyclopentyl-N-ethyl-2-(oxan-4-yloxy)ethanamine
CID 113448631
N',N'-bis(2-methylpropyl)-1-(oxolan-3-yl)-N-propylethane-1,2-diamine
CID 104745066
1-(oxolan-3-yl)-N-propylbut-3-en-1-amine
CID 65330642
N-[2-(2-ethoxyphenoxy)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104748410
ethyl 3-(oxolan-3-yl)-3-(propylamino)propanoate
CID 65235685

Frequently Asked Questions

What is the IUPAC name of N-[2-cycloheptyloxy-1-(oxolan-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-cycloheptyloxy-1-(oxolan-3-yl)ethyl]propan-1-amine (CID 104749186) is N-[2-cycloheptyloxy-1-(oxolan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-cycloheptyloxy-1-(oxolan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-cycloheptyloxy-1-(oxolan-3-yl)ethyl]propan-1-amine is CCCNC(COC1CCCCCC1)C1CCOC1.
What is the InChIKey of N-[2-cycloheptyloxy-1-(oxolan-3-yl)ethyl]propan-1-amine?
The InChIKey is LJUBNJFOVKWZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-2-10-17-16(14-9-11-18-12-14)13-19-15-7-5-3-4-6-8-15/h14-17H,2-13H2,1H3.
What are the key properties of N-[2-cycloheptyloxy-1-(oxolan-3-yl)ethyl]propan-1-amine?
N-[2-cycloheptyloxy-1-(oxolan-3-yl)ethyl]propan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cycloheptyloxy-1-(oxolan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 104749186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).