N-(3,3-dimethylbutan-2-yl)oxan-3-amine

C11H23NO — CID 115717971

IUPACN-(3,3-dimethylbutan-2-yl)oxan-3-amine
SMILESCC(NC1CCCOC1)C(C)(C)C
InChIInChI=1S/C11H23NO/c1-9(11(2,3)4)12-10-6-5-7-13-8-10/h9-10,12H,5-8H2,1-4H3
InChIKeyAZSCXCGREPVWLH-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.19
Rot. Bonds2

About N-(3,3-dimethylbutan-2-yl)oxan-3-amine

N-(3,3-dimethylbutan-2-yl)oxan-3-amine (PubChem CID 115717971) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)oxan-3-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)oxan-3-amine
PubChem CID115717971
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-(3,3-dimethylbutan-2-yl)oxan-3-amine
SMILESCC(NC1CCCOC1)C(C)(C)C
InChIInChI=1S/C11H23NO/c1-9(11(2,3)4)12-10-6-5-7-13-8-10/h9-10,12H,5-8H2,1-4H3
InChIKeyAZSCXCGREPVWLH-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,3-dimethylbutan-2-yl)cyclododecanamine
CID 104827794
(3S)-N-(1-cyclobutylethyl)oxan-3-amine
CID 130735135
(3R)-N-methyloxan-3-amine
CID 58327948
(3R)-3-(oxan-3-ylamino)butan-1-ol
CID 103871769
2-methyl-3-(oxan-3-ylamino)butan-1-ol
CID 115722841
(2S)-N-methyl-2-(oxan-3-ylamino)propanamide
CID 130727521
N-[1-(3,5-dimethylphenyl)ethyl]oxan-3-amine
CID 81345202
N-(2,2-dimethylpropyl)oxan-3-amine
CID 63360307
N-(4-ethylsulfanylbutan-2-yl)oxan-3-amine
CID 115725520
N-[(1S)-1-(furan-2-yl)ethyl]oxan-3-amine
CID 81402561
N-methyl-3-(oxan-3-ylamino)butanamide
CID 115717949
2-(oxan-3-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115713809

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)oxan-3-amine?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)oxan-3-amine (CID 115717971) is N-(3,3-dimethylbutan-2-yl)oxan-3-amine.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)oxan-3-amine?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)oxan-3-amine is CC(NC1CCCOC1)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)oxan-3-amine?
The InChIKey is AZSCXCGREPVWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(11(2,3)4)12-10-6-5-7-13-8-10/h9-10,12H,5-8H2,1-4H3.
What are the key properties of N-(3,3-dimethylbutan-2-yl)oxan-3-amine?
N-(3,3-dimethylbutan-2-yl)oxan-3-amine has a molecular weight of 185.31 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)oxan-3-amine is sourced from PubChem (CID 115717971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).