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

C19H29NO — CID 65404987

IUPACN-[oxan-4-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine
SMILESCCCNC(C1CCOCC1)C1CCc2ccccc2C1
InChIInChI=1S/C19H29NO/c1-2-11-20-19(16-9-12-21-13-10-16)18-8-7-15-5-3-4-6-17(15)14-18/h3-6,16,18-20H,2,7-14H2,1H3
InChIKeyKEZUZDBWXGTYNU-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.59
Rot. Bonds5

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

N-[oxan-4-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine (PubChem CID 65404987) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[oxan-4-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[oxan-4-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine
PubChem CID65404987
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-[oxan-4-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine
SMILESCCCNC(C1CCOCC1)C1CCc2ccccc2C1
InChIInChI=1S/C19H29NO/c1-2-11-20-19(16-9-12-21-13-10-16)18-8-7-15-5-3-4-6-17(15)14-18/h3-6,16,18-20H,2,7-14H2,1H3
InChIKeyKEZUZDBWXGTYNU-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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Frequently Asked Questions

What is the IUPAC name of N-[oxan-4-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[oxan-4-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine (CID 65404987) is N-[oxan-4-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[oxan-4-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[oxan-4-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine is CCCNC(C1CCOCC1)C1CCc2ccccc2C1.
What is the InChIKey of N-[oxan-4-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine?
The InChIKey is KEZUZDBWXGTYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-2-11-20-19(16-9-12-21-13-10-16)18-8-7-15-5-3-4-6-17(15)14-18/h3-6,16,18-20H,2,7-14H2,1H3.
What are the key properties of N-[oxan-4-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine?
N-[oxan-4-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-4-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 65404987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).