N-(3,3-dimethylbutan-2-yl)-2,2-dimethyloxan-4-amine

C13H27NO — CID 115896330

IUPACN-(3,3-dimethylbutan-2-yl)-2,2-dimethyloxan-4-amine
SMILESCC(NC1CCOC(C)(C)C1)C(C)(C)C
InChIInChI=1S/C13H27NO/c1-10(12(2,3)4)14-11-7-8-15-13(5,6)9-11/h10-11,14H,7-9H2,1-6H3
InChIKeyKFVFRHADLUUJSV-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds2

About N-(3,3-dimethylbutan-2-yl)-2,2-dimethyloxan-4-amine

N-(3,3-dimethylbutan-2-yl)-2,2-dimethyloxan-4-amine (PubChem CID 115896330) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-2,2-dimethyloxan-4-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-2,2-dimethyloxan-4-amine
PubChem CID115896330
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-(3,3-dimethylbutan-2-yl)-2,2-dimethyloxan-4-amine
SMILESCC(NC1CCOC(C)(C)C1)C(C)(C)C
InChIInChI=1S/C13H27NO/c1-10(12(2,3)4)14-11-7-8-15-13(5,6)9-11/h10-11,14H,7-9H2,1-6H3
InChIKeyKFVFRHADLUUJSV-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-2,2-dimethyloxan-4-amine?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-2,2-dimethyloxan-4-amine (CID 115896330) is N-(3,3-dimethylbutan-2-yl)-2,2-dimethyloxan-4-amine.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-2,2-dimethyloxan-4-amine?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-2,2-dimethyloxan-4-amine is CC(NC1CCOC(C)(C)C1)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-2,2-dimethyloxan-4-amine?
The InChIKey is KFVFRHADLUUJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-10(12(2,3)4)14-11-7-8-15-13(5,6)9-11/h10-11,14H,7-9H2,1-6H3.
What are the key properties of N-(3,3-dimethylbutan-2-yl)-2,2-dimethyloxan-4-amine?
N-(3,3-dimethylbutan-2-yl)-2,2-dimethyloxan-4-amine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 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)-2,2-dimethyloxan-4-amine is sourced from PubChem (CID 115896330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).