(2R)-7-(1-methoxypropyl)-2-methyl-N-(2-methylpropyl)-5-propan-2-yl-3H-oxepin-2-amine

C18H33NO2 — CID 163631125

IUPAC(2R)-7-(1-methoxypropyl)-2-methyl-N-(2-methylpropyl)-5-propan-2-yl-3H-oxepin-2-amine
SMILESCCC(OC)C1=CC(C(C)C)=CC[C@](C)(NCC(C)C)O1
InChIInChI=1S/C18H33NO2/c1-8-16(20-7)17-11-15(14(4)5)9-10-18(6,21-17)19-12-13(2)3/h9,11,13-14,16,19H,8,10,12H2,1-7H3/t16?,18-/m1/s1
InChIKeyHWDNJRSVADRSMB-UHUGOGIASA-N
MW295.47 g/mol
LogP4.26
Rot. Bonds7

About (2R)-7-(1-methoxypropyl)-2-methyl-N-(2-methylpropyl)-5-propan-2-yl-3H-oxepin-2-amine

(2R)-7-(1-methoxypropyl)-2-methyl-N-(2-methylpropyl)-5-propan-2-yl-3H-oxepin-2-amine (PubChem CID 163631125) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is (2R)-7-(1-methoxypropyl)-2-methyl-N-(2-methylpropyl)-5-propan-2-yl-3H-oxepin-2-amine.

Molecular Properties

Compound Name(2R)-7-(1-methoxypropyl)-2-methyl-N-(2-methylpropyl)-5-propan-2-yl-3H-oxepin-2-amine
PubChem CID163631125
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name(2R)-7-(1-methoxypropyl)-2-methyl-N-(2-methylpropyl)-5-propan-2-yl-3H-oxepin-2-amine
SMILESCCC(OC)C1=CC(C(C)C)=CC[C@](C)(NCC(C)C)O1
InChIInChI=1S/C18H33NO2/c1-8-16(20-7)17-11-15(14(4)5)9-10-18(6,21-17)19-12-13(2)3/h9,11,13-14,16,19H,8,10,12H2,1-7H3/t16?,18-/m1/s1
InChIKeyHWDNJRSVADRSMB-UHUGOGIASA-N
XLogP4.26
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-7-(1-methoxypropyl)-2-methyl-N-(2-methylpropyl)-5-propan-2-yl-3H-oxepin-2-amine?
The IUPAC name of (2R)-7-(1-methoxypropyl)-2-methyl-N-(2-methylpropyl)-5-propan-2-yl-3H-oxepin-2-amine (CID 163631125) is (2R)-7-(1-methoxypropyl)-2-methyl-N-(2-methylpropyl)-5-propan-2-yl-3H-oxepin-2-amine.
What is the SMILES notation for (2R)-7-(1-methoxypropyl)-2-methyl-N-(2-methylpropyl)-5-propan-2-yl-3H-oxepin-2-amine?
The canonical SMILES for (2R)-7-(1-methoxypropyl)-2-methyl-N-(2-methylpropyl)-5-propan-2-yl-3H-oxepin-2-amine is CCC(OC)C1=CC(C(C)C)=CC[C@](C)(NCC(C)C)O1.
What is the InChIKey of (2R)-7-(1-methoxypropyl)-2-methyl-N-(2-methylpropyl)-5-propan-2-yl-3H-oxepin-2-amine?
The InChIKey is HWDNJRSVADRSMB-UHUGOGIASA-N. The full InChI is InChI=1S/C18H33NO2/c1-8-16(20-7)17-11-15(14(4)5)9-10-18(6,21-17)19-12-13(2)3/h9,11,13-14,16,19H,8,10,12H2,1-7H3/t16?,18-/m1/s1.
What are the key properties of (2R)-7-(1-methoxypropyl)-2-methyl-N-(2-methylpropyl)-5-propan-2-yl-3H-oxepin-2-amine?
(2R)-7-(1-methoxypropyl)-2-methyl-N-(2-methylpropyl)-5-propan-2-yl-3H-oxepin-2-amine has a molecular weight of 295.47 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-7-(1-methoxypropyl)-2-methyl-N-(2-methylpropyl)-5-propan-2-yl-3H-oxepin-2-amine is sourced from PubChem (CID 163631125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).