(6,6-ditert-butyl-1,4-oxazepan-2-yl)methanamine

C14H30N2O — CID 169017959

IUPAC(6,6-ditert-butyl-1,4-oxazepan-2-yl)methanamine
SMILESCC(C)(C)C1(C(C)(C)C)CNCC(CN)OC1
InChIInChI=1S/C14H30N2O/c1-12(2,3)14(13(4,5)6)9-16-8-11(7-15)17-10-14/h11,16H,7-10,15H2,1-6H3
InChIKeyQVBLUZKXDDUVBU-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.01
Rot. Bonds1

About (6,6-ditert-butyl-1,4-oxazepan-2-yl)methanamine

(6,6-ditert-butyl-1,4-oxazepan-2-yl)methanamine (PubChem CID 169017959) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is (6,6-ditert-butyl-1,4-oxazepan-2-yl)methanamine.

Molecular Properties

Compound Name(6,6-ditert-butyl-1,4-oxazepan-2-yl)methanamine
PubChem CID169017959
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name(6,6-ditert-butyl-1,4-oxazepan-2-yl)methanamine
SMILESCC(C)(C)C1(C(C)(C)C)CNCC(CN)OC1
InChIInChI=1S/C14H30N2O/c1-12(2,3)14(13(4,5)6)9-16-8-11(7-15)17-10-14/h11,16H,7-10,15H2,1-6H3
InChIKeyQVBLUZKXDDUVBU-UHFFFAOYSA-N
XLogP2.01
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5,5-dimethylmorpholin-2-yl)methanamine
CID 145301110
6-oxa-2-azaspiro[3.4]octan-7-ylmethanamine
CID 91618386
2-(2,2-dimethylpropyl)-5,5-dimethylmorpholine
CID 134506537
(2-methyl-5-oxaspiro[2.4]heptan-6-yl)methanamine
CID 155895836
5-oxaspiro[2.5]octan-6-ylmethanamine;hydrochloride
CID 154843171
2-methoxypropan-2-amine;oxolan-2-ylmethanamine
CID 143615334
6-(2-cyclopropylethyl)-2,2-dimethylmorpholine
CID 130847158
(2S)-6,6-difluoro-2-(propan-2-yloxymethyl)-1,4-oxazepane
CID 176863619
(4,4,6,6-tetramethyloxepan-2-yl)methanamine
CID 146666846
9-(methoxymethyl)-8-oxa-11-azaspiro[5.6]dodecane
CID 103968945
9-tert-butyl-2-ethyl-1-oxa-4-azaspiro[5.5]undecane
CID 65122254
6-(aminomethyl)morpholin-3-one;hydrochloride
CID 22612261

Frequently Asked Questions

What is the IUPAC name of (6,6-ditert-butyl-1,4-oxazepan-2-yl)methanamine?
The IUPAC name of (6,6-ditert-butyl-1,4-oxazepan-2-yl)methanamine (CID 169017959) is (6,6-ditert-butyl-1,4-oxazepan-2-yl)methanamine.
What is the SMILES notation for (6,6-ditert-butyl-1,4-oxazepan-2-yl)methanamine?
The canonical SMILES for (6,6-ditert-butyl-1,4-oxazepan-2-yl)methanamine is CC(C)(C)C1(C(C)(C)C)CNCC(CN)OC1.
What is the InChIKey of (6,6-ditert-butyl-1,4-oxazepan-2-yl)methanamine?
The InChIKey is QVBLUZKXDDUVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-12(2,3)14(13(4,5)6)9-16-8-11(7-15)17-10-14/h11,16H,7-10,15H2,1-6H3.
What are the key properties of (6,6-ditert-butyl-1,4-oxazepan-2-yl)methanamine?
(6,6-ditert-butyl-1,4-oxazepan-2-yl)methanamine has a molecular weight of 242.41 g/mol, XLogP of 2.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6,6-ditert-butyl-1,4-oxazepan-2-yl)methanamine is sourced from PubChem (CID 169017959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).