N,7-dipropyl-1,2,4,5-tetrahydro-3-benzoxepin-5-amine

C16H25NO — CID 55109377

IUPACN,7-dipropyl-1,2,4,5-tetrahydro-3-benzoxepin-5-amine
SMILESCCCNC1COCCc2ccc(CCC)cc21
InChIInChI=1S/C16H25NO/c1-3-5-13-6-7-14-8-10-18-12-16(15(14)11-13)17-9-4-2/h6-7,11,16-17H,3-5,8-10,12H2,1-2H3
InChIKeyQVQOEFHKZKIQOH-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.25
Rot. Bonds5

About N,7-dipropyl-1,2,4,5-tetrahydro-3-benzoxepin-5-amine

N,7-dipropyl-1,2,4,5-tetrahydro-3-benzoxepin-5-amine (PubChem CID 55109377) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N,7-dipropyl-1,2,4,5-tetrahydro-3-benzoxepin-5-amine.

Molecular Properties

Compound NameN,7-dipropyl-1,2,4,5-tetrahydro-3-benzoxepin-5-amine
PubChem CID55109377
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN,7-dipropyl-1,2,4,5-tetrahydro-3-benzoxepin-5-amine
SMILESCCCNC1COCCc2ccc(CCC)cc21
InChIInChI=1S/C16H25NO/c1-3-5-13-6-7-14-8-10-18-12-16(15(14)11-13)17-9-4-2/h6-7,11,16-17H,3-5,8-10,12H2,1-2H3
InChIKeyQVQOEFHKZKIQOH-UHFFFAOYSA-N
XLogP3.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-7-phenyl-1,2,4,5-tetrahydro-3-benzoxepin-5-amine
CID 62738218
N-ethyl-7-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62737677
3-ethyl-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63512839
3,3-dimethyl-N,6-dipropyl-1,2-dihydroinden-1-amine
CID 79837847
N,7-dipropyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 62549764
6-chloro-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 61383375
7-propyl-1,2-dihydro-3-benzoxepin-5-one
CID 62731889
6-tert-butyl-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 61383373
3-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 62736189
3-propylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 59134563
6-ethyl-3-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 63823010
N-methyl-5-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 62549578

Frequently Asked Questions

What is the IUPAC name of N,7-dipropyl-1,2,4,5-tetrahydro-3-benzoxepin-5-amine?
The IUPAC name of N,7-dipropyl-1,2,4,5-tetrahydro-3-benzoxepin-5-amine (CID 55109377) is N,7-dipropyl-1,2,4,5-tetrahydro-3-benzoxepin-5-amine.
What is the SMILES notation for N,7-dipropyl-1,2,4,5-tetrahydro-3-benzoxepin-5-amine?
The canonical SMILES for N,7-dipropyl-1,2,4,5-tetrahydro-3-benzoxepin-5-amine is CCCNC1COCCc2ccc(CCC)cc21.
What is the InChIKey of N,7-dipropyl-1,2,4,5-tetrahydro-3-benzoxepin-5-amine?
The InChIKey is QVQOEFHKZKIQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-5-13-6-7-14-8-10-18-12-16(15(14)11-13)17-9-4-2/h6-7,11,16-17H,3-5,8-10,12H2,1-2H3.
What are the key properties of N,7-dipropyl-1,2,4,5-tetrahydro-3-benzoxepin-5-amine?
N,7-dipropyl-1,2,4,5-tetrahydro-3-benzoxepin-5-amine has a molecular weight of 247.38 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,7-dipropyl-1,2,4,5-tetrahydro-3-benzoxepin-5-amine is sourced from PubChem (CID 55109377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).