N-[oxan-3-yl-(1-phenylcyclobutyl)methyl]propan-1-amine

C19H29NO — CID 107136335

IUPACN-[oxan-3-yl-(1-phenylcyclobutyl)methyl]propan-1-amine
SMILESCCCNC(C1CCCOC1)C1(c2ccccc2)CCC1
InChIInChI=1S/C19H29NO/c1-2-13-20-18(16-8-6-14-21-15-16)19(11-7-12-19)17-9-4-3-5-10-17/h3-5,9-10,16,18,20H,2,6-8,11-15H2,1H3
InChIKeyDUVXBWVORWLENY-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.90
Rot. Bonds6

About N-[oxan-3-yl-(1-phenylcyclobutyl)methyl]propan-1-amine

N-[oxan-3-yl-(1-phenylcyclobutyl)methyl]propan-1-amine (PubChem CID 107136335) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[oxan-3-yl-(1-phenylcyclobutyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[oxan-3-yl-(1-phenylcyclobutyl)methyl]propan-1-amine
PubChem CID107136335
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-[oxan-3-yl-(1-phenylcyclobutyl)methyl]propan-1-amine
SMILESCCCNC(C1CCCOC1)C1(c2ccccc2)CCC1
InChIInChI=1S/C19H29NO/c1-2-13-20-18(16-8-6-14-21-15-16)19(11-7-12-19)17-9-4-3-5-10-17/h3-5,9-10,16,18,20H,2,6-8,11-15H2,1H3
InChIKeyDUVXBWVORWLENY-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cycloheptyl-(1-phenylcyclobutyl)methyl]ethanamine
CID 82932692
[oxolan-3-yl-(1-phenylcyclopentyl)methyl]hydrazine
CID 105217442
N,N-diethyl-1-[oxan-3-yl(propylamino)methyl]cyclopentan-1-amine
CID 107136596
N-[1-(1-phenylcyclopentyl)ethyl]propan-1-amine
CID 63079548
N-[2-cyclopentyl-1-(1-phenylcyclobutyl)ethyl]propan-1-amine
CID 63417932
N-[(2-ethylphenyl)-(oxan-3-yl)methyl]propan-1-amine
CID 107139020
N-[naphthalen-2-yl(oxan-3-yl)methyl]propan-1-amine
CID 65332373
N-[oxan-3-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine
CID 107136482
N-benzyl-1-(oxan-3-yl)ethanamine
CID 130667431
N-[2,3-dihydro-1-benzofuran-3-yl(oxan-3-yl)methyl]propan-1-amine
CID 107136795
N-[2-(2-methoxyphenyl)-1-(oxan-3-yl)ethyl]propan-1-amine
CID 63015432
2,2-dimethyl-1-(1-phenylcyclopentyl)-N-propylpropan-1-amine
CID 63417982

Frequently Asked Questions

What is the IUPAC name of N-[oxan-3-yl-(1-phenylcyclobutyl)methyl]propan-1-amine?
The IUPAC name of N-[oxan-3-yl-(1-phenylcyclobutyl)methyl]propan-1-amine (CID 107136335) is N-[oxan-3-yl-(1-phenylcyclobutyl)methyl]propan-1-amine.
What is the SMILES notation for N-[oxan-3-yl-(1-phenylcyclobutyl)methyl]propan-1-amine?
The canonical SMILES for N-[oxan-3-yl-(1-phenylcyclobutyl)methyl]propan-1-amine is CCCNC(C1CCCOC1)C1(c2ccccc2)CCC1.
What is the InChIKey of N-[oxan-3-yl-(1-phenylcyclobutyl)methyl]propan-1-amine?
The InChIKey is DUVXBWVORWLENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-2-13-20-18(16-8-6-14-21-15-16)19(11-7-12-19)17-9-4-3-5-10-17/h3-5,9-10,16,18,20H,2,6-8,11-15H2,1H3.
What are the key properties of N-[oxan-3-yl-(1-phenylcyclobutyl)methyl]propan-1-amine?
N-[oxan-3-yl-(1-phenylcyclobutyl)methyl]propan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 3.90, 6 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-phenylcyclobutyl)methyl]propan-1-amine is sourced from PubChem (CID 107136335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).