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

C16H25NO — CID 62549764

IUPACN,7-dipropyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
SMILESCCCNC1CCCOc2ccc(CCC)cc21
InChIInChI=1S/C16H25NO/c1-3-6-13-8-9-16-14(12-13)15(17-10-4-2)7-5-11-18-16/h8-9,12,15,17H,3-7,10-11H2,1-2H3
InChIKeyXGZTWDFYAXIHFO-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.85
Rot. Bonds5

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

N,7-dipropyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine (PubChem CID 62549764) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N,7-dipropyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine.

Molecular Properties

Compound NameN,7-dipropyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
PubChem CID62549764
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN,7-dipropyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
SMILESCCCNC1CCCOc2ccc(CCC)cc21
InChIInChI=1S/C16H25NO/c1-3-6-13-8-9-16-14(12-13)15(17-10-4-2)7-5-11-18-16/h8-9,12,15,17H,3-7,10-11H2,1-2H3
InChIKeyXGZTWDFYAXIHFO-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-butyl-N-ethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 113322711
7-benzyl-N-ethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 62273514
7-butyl-N-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 113322712
8-methyl-N-propyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 79983235
N-methyl-5-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 62549578
6-bromo-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 43512617
8-fluoro-7-methyl-N-propyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 107170018
N-ethyl-7-propoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43512312
7-benzyl-N-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 62273339
8,9-dimethyl-N-propyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43512197
N,7-dipropyl-1,2,4,5-tetrahydro-3-benzoxepin-5-amine
CID 55109377
N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-N',N'-dimethylethane-1,2-diamine
CID 126780788

Frequently Asked Questions

What is the IUPAC name of N,7-dipropyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine?
The IUPAC name of N,7-dipropyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine (CID 62549764) is N,7-dipropyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine.
What is the SMILES notation for N,7-dipropyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine?
The canonical SMILES for N,7-dipropyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine is CCCNC1CCCOc2ccc(CCC)cc21.
What is the InChIKey of N,7-dipropyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine?
The InChIKey is XGZTWDFYAXIHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-6-13-8-9-16-14(12-13)15(17-10-4-2)7-5-11-18-16/h8-9,12,15,17H,3-7,10-11H2,1-2H3.
What are the key properties of N,7-dipropyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine?
N,7-dipropyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine has a molecular weight of 247.38 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,7-dipropyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine is sourced from PubChem (CID 62549764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).