N-[oxan-3-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine

C19H29NO — CID 107136482

IUPACN-[oxan-3-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine
SMILESCCCNC(C1CCCOC1)C1CCc2ccccc2C1
InChIInChI=1S/C19H29NO/c1-2-11-20-19(18-8-5-12-21-14-18)17-10-9-15-6-3-4-7-16(15)13-17/h3-4,6-7,17-20H,2,5,8-14H2,1H3
InChIKeyYNECXEDRNVYXFK-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.59
Rot. Bonds5

About N-[oxan-3-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine

N-[oxan-3-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine (PubChem CID 107136482) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[oxan-3-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[oxan-3-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine
PubChem CID107136482
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-[oxan-3-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine
SMILESCCCNC(C1CCCOC1)C1CCc2ccccc2C1
InChIInChI=1S/C19H29NO/c1-2-11-20-19(18-8-5-12-21-14-18)17-10-9-15-6-3-4-7-16(15)13-17/h3-4,6-7,17-20H,2,5,8-14H2,1H3
InChIKeyYNECXEDRNVYXFK-UHFFFAOYSA-N
XLogP3.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[oxan-4-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine
CID 65404987
N-[3,4-dihydro-2H-chromen-3-yl(oxan-3-yl)methyl]ethanamine
CID 107136471
N-[2,3-dihydro-1-benzofuran-3-yl(oxan-3-yl)methyl]propan-1-amine
CID 107136795
N-[3,4-dihydro-2H-chromen-4-yl(oxan-3-yl)methyl]propan-1-amine
CID 107136469
N-[oxan-3-yl-(4-propylcyclohexyl)methyl]propan-1-amine
CID 107136453
3-methyl-N-propyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)hexan-1-amine
CID 65405568
2,3-dihydro-1H-inden-2-yl(oxan-3-yl)methanamine
CID 107136473
N-[(2-ethylphenyl)-(oxan-3-yl)methyl]propan-1-amine
CID 107139020
N-[(5-methylfuran-2-yl)-(oxan-3-yl)methyl]propan-1-amine
CID 63013091
N-[oxan-3-yl-(1-phenylcyclobutyl)methyl]propan-1-amine
CID 107136335
N-[naphthalen-2-yl(oxan-3-yl)methyl]propan-1-amine
CID 65332373
oxolan-3-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methanol
CID 65412556

Frequently Asked Questions

What is the IUPAC name of N-[oxan-3-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[oxan-3-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine (CID 107136482) is N-[oxan-3-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[oxan-3-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[oxan-3-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine is CCCNC(C1CCCOC1)C1CCc2ccccc2C1.
What is the InChIKey of N-[oxan-3-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine?
The InChIKey is YNECXEDRNVYXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-2-11-20-19(18-8-5-12-21-14-18)17-10-9-15-6-3-4-7-16(15)13-17/h3-4,6-7,17-20H,2,5,8-14H2,1H3.
What are the key properties of N-[oxan-3-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine?
N-[oxan-3-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[oxan-3-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 107136482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).