N-[3,4-dihydro-2H-pyran-5-yl-(1-methoxycyclopentyl)methyl]propan-1-amine

C15H27NO2 — CID 113432857

IUPACN-[3,4-dihydro-2H-pyran-5-yl-(1-methoxycyclopentyl)methyl]propan-1-amine
SMILESCCCNC(C1=COCCC1)C1(OC)CCCC1
InChIInChI=1S/C15H27NO2/c1-3-10-16-14(13-7-6-11-18-12-13)15(17-2)8-4-5-9-15/h12,14,16H,3-11H2,1-2H3
InChIKeyUPNXPRCHFVBWLV-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.01
Rot. Bonds6

About N-[3,4-dihydro-2H-pyran-5-yl-(1-methoxycyclopentyl)methyl]propan-1-amine

N-[3,4-dihydro-2H-pyran-5-yl-(1-methoxycyclopentyl)methyl]propan-1-amine (PubChem CID 113432857) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[3,4-dihydro-2H-pyran-5-yl-(1-methoxycyclopentyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[3,4-dihydro-2H-pyran-5-yl-(1-methoxycyclopentyl)methyl]propan-1-amine
PubChem CID113432857
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC NameN-[3,4-dihydro-2H-pyran-5-yl-(1-methoxycyclopentyl)methyl]propan-1-amine
SMILESCCCNC(C1=COCCC1)C1(OC)CCCC1
InChIInChI=1S/C15H27NO2/c1-3-10-16-14(13-7-6-11-18-12-13)15(17-2)8-4-5-9-15/h12,14,16H,3-11H2,1-2H3
InChIKeyUPNXPRCHFVBWLV-UHFFFAOYSA-N
XLogP3.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methylidene-1-(2-methyloxolan-2-yl)-N-propylpentan-1-amine
CID 80173952
N-ethyl-2-methyl-1-(2-methyloxolan-2-yl)prop-2-en-1-amine
CID 80174410
N-ethyl-3-methyl-1-(2-methyloxolan-2-yl)but-3-en-1-amine
CID 80174421
2-methyl-1-(2-methyloxolan-2-yl)-N-propylprop-2-en-1-amine
CID 80174715
N,3-dimethyl-1-(2-methyloxolan-2-yl)but-3-en-1-amine
CID 80174793
N-ethyl-3-methylidene-1-(2-methyloxolan-2-yl)pentan-1-amine
CID 80174906
N,2-dimethyl-1-(2-methyloxolan-2-yl)prop-2-en-1-amine
CID 80174972
N-methyl-3-methylidene-1-(2-methyloxolan-2-yl)pentan-1-amine
CID 80175079
3-methyl-1-(2-methyloxolan-2-yl)-N-propylbut-3-en-1-amine
CID 80175109
N-[cyclohexen-1-yl-(2-methyloxolan-2-yl)methyl]ethanamine
CID 80182302
N-[cyclohexen-1-yl-(2-methyloxolan-2-yl)methyl]propan-1-amine
CID 80182385
1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-N,3-dimethylbutan-1-amine
CID 103029309

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydro-2H-pyran-5-yl-(1-methoxycyclopentyl)methyl]propan-1-amine?
The IUPAC name of N-[3,4-dihydro-2H-pyran-5-yl-(1-methoxycyclopentyl)methyl]propan-1-amine (CID 113432857) is N-[3,4-dihydro-2H-pyran-5-yl-(1-methoxycyclopentyl)methyl]propan-1-amine.
What is the SMILES notation for N-[3,4-dihydro-2H-pyran-5-yl-(1-methoxycyclopentyl)methyl]propan-1-amine?
The canonical SMILES for N-[3,4-dihydro-2H-pyran-5-yl-(1-methoxycyclopentyl)methyl]propan-1-amine is CCCNC(C1=COCCC1)C1(OC)CCCC1.
What is the InChIKey of N-[3,4-dihydro-2H-pyran-5-yl-(1-methoxycyclopentyl)methyl]propan-1-amine?
The InChIKey is UPNXPRCHFVBWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-3-10-16-14(13-7-6-11-18-12-13)15(17-2)8-4-5-9-15/h12,14,16H,3-11H2,1-2H3.
What are the key properties of N-[3,4-dihydro-2H-pyran-5-yl-(1-methoxycyclopentyl)methyl]propan-1-amine?
N-[3,4-dihydro-2H-pyran-5-yl-(1-methoxycyclopentyl)methyl]propan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dihydro-2H-pyran-5-yl-(1-methoxycyclopentyl)methyl]propan-1-amine is sourced from PubChem (CID 113432857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).