N-butan-2-yl-2,2-diethyloxan-4-amine

C13H27NO — CID 83033470

IUPACN-butan-2-yl-2,2-diethyloxan-4-amine
SMILESCCC(C)NC1CCOC(CC)(CC)C1
InChIInChI=1S/C13H27NO/c1-5-11(4)14-12-8-9-15-13(6-2,7-3)10-12/h11-12,14H,5-10H2,1-4H3
InChIKeyIPSZQGAGDYBIBM-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.11
Rot. Bonds5

About N-butan-2-yl-2,2-diethyloxan-4-amine

N-butan-2-yl-2,2-diethyloxan-4-amine (PubChem CID 83033470) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-butan-2-yl-2,2-diethyloxan-4-amine.

Molecular Properties

Compound NameN-butan-2-yl-2,2-diethyloxan-4-amine
PubChem CID83033470
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-butan-2-yl-2,2-diethyloxan-4-amine
SMILESCCC(C)NC1CCOC(CC)(CC)C1
InChIInChI=1S/C13H27NO/c1-5-11(4)14-12-8-9-15-13(6-2,7-3)10-12/h11-12,14H,5-10H2,1-4H3
InChIKeyIPSZQGAGDYBIBM-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclopropylpropan-2-yl)-2,2-diethyloxan-4-amine
CID 115897078
N-(1-cyclohexylethyl)-2,2-diethyloxan-4-amine
CID 83032971
2,2-diethyl-N-[1-(4-fluorophenyl)propan-2-yl]oxan-4-amine
CID 115897071
2,2-diethyl-N-(1-piperidin-2-ylpropan-2-yl)oxan-4-amine
CID 83033132
2,2-diethyl-N-(4-phenylbutan-2-yl)oxan-4-amine
CID 83035848
N-[1-(4-chlorophenyl)propan-2-yl]-2,2-diethyloxan-4-amine
CID 103911511
2-[(2,2-diethyloxan-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 83033520
N-butan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898146
2,2-diethyl-N-(1-phenylethyl)oxan-4-amine
CID 83033555
2-[(2,2-diethyloxan-4-yl)amino]-N-propylpropanamide
CID 83032657
2-[1-[(2,2-diethyloxan-4-yl)amino]propyl]phenol
CID 83035645
N-(2,2-diethyloxan-4-yl)-1-(2-methylpropyl)piperidin-4-amine
CID 103914620

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2,2-diethyloxan-4-amine?
The IUPAC name of N-butan-2-yl-2,2-diethyloxan-4-amine (CID 83033470) is N-butan-2-yl-2,2-diethyloxan-4-amine.
What is the SMILES notation for N-butan-2-yl-2,2-diethyloxan-4-amine?
The canonical SMILES for N-butan-2-yl-2,2-diethyloxan-4-amine is CCC(C)NC1CCOC(CC)(CC)C1.
What is the InChIKey of N-butan-2-yl-2,2-diethyloxan-4-amine?
The InChIKey is IPSZQGAGDYBIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-11(4)14-12-8-9-15-13(6-2,7-3)10-12/h11-12,14H,5-10H2,1-4H3.
What are the key properties of N-butan-2-yl-2,2-diethyloxan-4-amine?
N-butan-2-yl-2,2-diethyloxan-4-amine has a molecular weight of 213.36 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2,2-diethyloxan-4-amine is sourced from PubChem (CID 83033470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).