4-(2-benzyl-1,4-oxazepan-4-yl)-2,2,3,3-tetramethylbutan-1-amine

C20H34N2O — CID 91049837

IUPAC4-(2-benzyl-1,4-oxazepan-4-yl)-2,2,3,3-tetramethylbutan-1-amine
SMILESCC(C)(CN)C(C)(C)CN1CCCOC(Cc2ccccc2)C1
InChIInChI=1S/C20H34N2O/c1-19(2,15-21)20(3,4)16-22-11-8-12-23-18(14-22)13-17-9-6-5-7-10-17/h5-7,9-10,18H,8,11-16,21H2,1-4H3
InChIKeyXIGXVCHAMPMRFR-UHFFFAOYSA-N
MW318.50 g/mol
LogP3.33
Rot. Bonds6

About 4-(2-benzyl-1,4-oxazepan-4-yl)-2,2,3,3-tetramethylbutan-1-amine

4-(2-benzyl-1,4-oxazepan-4-yl)-2,2,3,3-tetramethylbutan-1-amine (PubChem CID 91049837) has the molecular formula C20H34N2O and a molecular weight of 318.50 g/mol. Its IUPAC name is 4-(2-benzyl-1,4-oxazepan-4-yl)-2,2,3,3-tetramethylbutan-1-amine.

Molecular Properties

Compound Name4-(2-benzyl-1,4-oxazepan-4-yl)-2,2,3,3-tetramethylbutan-1-amine
PubChem CID91049837
Molecular FormulaC20H34N2O
Molecular Weight318.50 g/mol
Exact Mass318.27
IUPAC Name4-(2-benzyl-1,4-oxazepan-4-yl)-2,2,3,3-tetramethylbutan-1-amine
SMILESCC(C)(CN)C(C)(C)CN1CCCOC(Cc2ccccc2)C1
InChIInChI=1S/C20H34N2O/c1-19(2,15-21)20(3,4)16-22-11-8-12-23-18(14-22)13-17-9-6-5-7-10-17/h5-7,9-10,18H,8,11-16,21H2,1-4H3
InChIKeyXIGXVCHAMPMRFR-UHFFFAOYSA-N
XLogP3.33
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.50
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-benzyl-1,4-oxazepan-4-yl)-2,2,3,3-tetramethylbutan-1-amine with MolForge

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Related Compounds

1-(2-ethyl-1,4-oxazepan-4-yl)-2-methylpropan-2-amine;hydrochloride
CID 120849628
1-[2-(aminomethyl)-1,4-oxazepan-4-yl]-2-methylpropan-2-ol
CID 131115600
2-benzyl-4-dodecylmorpholine
CID 70634633
3-[(2-benzylmorpholin-4-yl)methyl]benzoic acid
CID 122032440
4-benzyl-2-[(4-methoxyphenyl)methyl]morpholine
CID 142864926
N-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]methanesulfonamide
CID 124623968
2-benzyloxepane
CID 14272917
(2S)-2-benzyl-3-methyl-1,3-oxazinane
CID 89089139
2-amino-3-(4-benzyl-1,4-oxazepan-2-yl)propanoic acid
CID 106491179
(2R)-2-benzyl-N-[[(3R)-1-ethylpiperidin-3-yl]methyl]morpholine-4-carboxamide
CID 97337261
2-benzyl-N,N-diethylmorpholine-4-carboxamide
CID 110643919
1-[(2R)-2-benzylmorpholin-4-yl]-2-(dimethylamino)ethanone
CID 124615413

Frequently Asked Questions

What is the IUPAC name of 4-(2-benzyl-1,4-oxazepan-4-yl)-2,2,3,3-tetramethylbutan-1-amine?
The IUPAC name of 4-(2-benzyl-1,4-oxazepan-4-yl)-2,2,3,3-tetramethylbutan-1-amine (CID 91049837) is 4-(2-benzyl-1,4-oxazepan-4-yl)-2,2,3,3-tetramethylbutan-1-amine.
What is the SMILES notation for 4-(2-benzyl-1,4-oxazepan-4-yl)-2,2,3,3-tetramethylbutan-1-amine?
The canonical SMILES for 4-(2-benzyl-1,4-oxazepan-4-yl)-2,2,3,3-tetramethylbutan-1-amine is CC(C)(CN)C(C)(C)CN1CCCOC(Cc2ccccc2)C1.
What is the InChIKey of 4-(2-benzyl-1,4-oxazepan-4-yl)-2,2,3,3-tetramethylbutan-1-amine?
The InChIKey is XIGXVCHAMPMRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O/c1-19(2,15-21)20(3,4)16-22-11-8-12-23-18(14-22)13-17-9-6-5-7-10-17/h5-7,9-10,18H,8,11-16,21H2,1-4H3.
What are the key properties of 4-(2-benzyl-1,4-oxazepan-4-yl)-2,2,3,3-tetramethylbutan-1-amine?
4-(2-benzyl-1,4-oxazepan-4-yl)-2,2,3,3-tetramethylbutan-1-amine has a molecular weight of 318.50 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzyl-1,4-oxazepan-4-yl)-2,2,3,3-tetramethylbutan-1-amine is sourced from PubChem (CID 91049837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).