2-methyl-3-(oxan-4-yl)-N-propan-2-ylbutan-1-amine

C13H27NO — CID 81016369

IUPAC2-methyl-3-(oxan-4-yl)-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(C)C(C)C1CCOCC1
InChIInChI=1S/C13H27NO/c1-10(2)14-9-11(3)12(4)13-5-7-15-8-6-13/h10-14H,5-9H2,1-4H3
InChIKeySRZNSCMCBGISCP-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.68
Rot. Bonds5

About 2-methyl-3-(oxan-4-yl)-N-propan-2-ylbutan-1-amine

2-methyl-3-(oxan-4-yl)-N-propan-2-ylbutan-1-amine (PubChem CID 81016369) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-methyl-3-(oxan-4-yl)-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(oxan-4-yl)-N-propan-2-ylbutan-1-amine
PubChem CID81016369
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-methyl-3-(oxan-4-yl)-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(C)C(C)C1CCOCC1
InChIInChI=1S/C13H27NO/c1-10(2)14-9-11(3)12(4)13-5-7-15-8-6-13/h10-14H,5-9H2,1-4H3
InChIKeySRZNSCMCBGISCP-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-(oxan-4-yl)-N-propan-2-ylpropan-1-amine
CID 62529489
3-(3,5-dimethylcyclohexyl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 81016485
3-cyclohexyl-N,2-dimethylbutan-1-amine
CID 81015775
N-(2-cyclohexylethyl)-1-(oxan-4-yl)ethanamine
CID 113260043
N-[1-(oxan-4-yl)propan-2-yl]cyclopentanamine
CID 115704973
3-cyclohexyl-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 81015222
N,N'-dimethyl-1-(oxan-4-yl)ethane-1,2-diamine
CID 116948007
N-ethyl-2-methyl-3-(oxan-3-yl)butan-1-amine
CID 107138091
2-N-methyl-2-N-(oxan-4-yl)-1-N-propan-2-ylbutane-1,2-diamine
CID 62432388
N-[cyclobutyl(oxan-4-yl)methyl]ethanamine
CID 64986695
1-amino-2-(oxan-4-yl)propan-1-ol
CID 88974259
N-(2-cyclobutylethyl)-1-(oxan-4-yl)ethanamine
CID 115893382

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(oxan-4-yl)-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-methyl-3-(oxan-4-yl)-N-propan-2-ylbutan-1-amine (CID 81016369) is 2-methyl-3-(oxan-4-yl)-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-methyl-3-(oxan-4-yl)-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-methyl-3-(oxan-4-yl)-N-propan-2-ylbutan-1-amine is CC(C)NCC(C)C(C)C1CCOCC1.
What is the InChIKey of 2-methyl-3-(oxan-4-yl)-N-propan-2-ylbutan-1-amine?
The InChIKey is SRZNSCMCBGISCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-10(2)14-9-11(3)12(4)13-5-7-15-8-6-13/h10-14H,5-9H2,1-4H3.
What are the key properties of 2-methyl-3-(oxan-4-yl)-N-propan-2-ylbutan-1-amine?
2-methyl-3-(oxan-4-yl)-N-propan-2-ylbutan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(oxan-4-yl)-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 81016369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).