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

C15H27NO2 — CID 103559783

IUPACN-[1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
SMILESCCCNC(CC1(OC)CCC1)C1=COCCC1
InChIInChI=1S/C15H27NO2/c1-3-9-16-14(13-6-4-10-18-12-13)11-15(17-2)7-5-8-15/h12,14,16H,3-11H2,1-2H3
InChIKeyNMFNCJAACUOUHS-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.01
Rot. Bonds7

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

N-[1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine (PubChem CID 103559783) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
PubChem CID103559783
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC NameN-[1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
SMILESCCCNC(CC1(OC)CCC1)C1=COCCC1
InChIInChI=1S/C15H27NO2/c1-3-9-16-14(13-6-4-10-18-12-13)11-15(17-2)7-5-8-15/h12,14,16H,3-11H2,1-2H3
InChIKeyNMFNCJAACUOUHS-UHFFFAOYSA-N
XLogP3.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-N,3-dimethylbutan-1-amine
CID 103029309
1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-3-methylbutan-1-amine
CID 103029310
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
CID 103029311
1-(3-ethoxycyclobutyl)-N-ethyl-4-methylpent-4-en-2-amine
CID 103169033
1-(3-ethoxycyclobutyl)-3-methyl-N-propylbut-3-en-2-amine
CID 103169044
1-(3-ethoxycyclobutyl)-N-ethyl-3-methylbut-3-en-2-amine
CID 103169049
1-(3-ethoxycyclobutyl)-N-ethyl-4-methylidenehexan-2-amine
CID 103169057
2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine
CID 103169433
N-[1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine
CID 103169434
1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
CID 103169435
2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-ethylethanamine
CID 103169438
N-[2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)ethyl]propan-1-amine
CID 103169439

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine (CID 103559783) is N-[1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine is CCCNC(CC1(OC)CCC1)C1=COCCC1.
What is the InChIKey of N-[1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine?
The InChIKey is NMFNCJAACUOUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-3-9-16-14(13-6-4-10-18-12-13)11-15(17-2)7-5-8-15/h12,14,16H,3-11H2,1-2H3.
What are the key properties of N-[1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine?
N-[1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine is sourced from PubChem (CID 103559783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).