N-(1-cyclopropylpropan-2-yl)-2,2-diethyloxan-4-amine

C15H29NO — CID 115897078

IUPACN-(1-cyclopropylpropan-2-yl)-2,2-diethyloxan-4-amine
SMILESCCC1(CC)CC(NC(C)CC2CC2)CCO1
InChIInChI=1S/C15H29NO/c1-4-15(5-2)11-14(8-9-17-15)16-12(3)10-13-6-7-13/h12-14,16H,4-11H2,1-3H3
InChIKeyIWWSOXLQLQABTD-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.50
Rot. Bonds6

About N-(1-cyclopropylpropan-2-yl)-2,2-diethyloxan-4-amine

N-(1-cyclopropylpropan-2-yl)-2,2-diethyloxan-4-amine (PubChem CID 115897078) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-(1-cyclopropylpropan-2-yl)-2,2-diethyloxan-4-amine.

Molecular Properties

Compound NameN-(1-cyclopropylpropan-2-yl)-2,2-diethyloxan-4-amine
PubChem CID115897078
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-(1-cyclopropylpropan-2-yl)-2,2-diethyloxan-4-amine
SMILESCCC1(CC)CC(NC(C)CC2CC2)CCO1
InChIInChI=1S/C15H29NO/c1-4-15(5-2)11-14(8-9-17-15)16-12(3)10-13-6-7-13/h12-14,16H,4-11H2,1-3H3
InChIKeyIWWSOXLQLQABTD-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-2,2-diethyloxan-4-amine
CID 83033470
N-(1-cyclohexylethyl)-2,2-diethyloxan-4-amine
CID 83032971
2,2-diethyl-N-(1-piperidin-2-ylpropan-2-yl)oxan-4-amine
CID 83033132
N-(1-cyclopropylpropan-2-yl)-1-oxaspiro[5.5]undecan-4-amine
CID 79904048
2,2-diethyl-N-(1-phenylethyl)oxan-4-amine
CID 83033555
2,2-diethyl-N-[1-(4-fluorophenyl)propan-2-yl]oxan-4-amine
CID 115897071
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
N-(1-cyclopropylpropan-2-yl)oxan-4-amine
CID 63989117
2-[(2,2-diethyloxan-4-yl)amino]-N-propylpropanamide
CID 83032657
N-[1-(3,4-difluorophenyl)ethyl]-2,2-diethyloxan-4-amine
CID 83035815
2-[(2,2-diethyloxan-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 83033520

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropan-2-yl)-2,2-diethyloxan-4-amine?
The IUPAC name of N-(1-cyclopropylpropan-2-yl)-2,2-diethyloxan-4-amine (CID 115897078) is N-(1-cyclopropylpropan-2-yl)-2,2-diethyloxan-4-amine.
What is the SMILES notation for N-(1-cyclopropylpropan-2-yl)-2,2-diethyloxan-4-amine?
The canonical SMILES for N-(1-cyclopropylpropan-2-yl)-2,2-diethyloxan-4-amine is CCC1(CC)CC(NC(C)CC2CC2)CCO1.
What is the InChIKey of N-(1-cyclopropylpropan-2-yl)-2,2-diethyloxan-4-amine?
The InChIKey is IWWSOXLQLQABTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-4-15(5-2)11-14(8-9-17-15)16-12(3)10-13-6-7-13/h12-14,16H,4-11H2,1-3H3.
What are the key properties of N-(1-cyclopropylpropan-2-yl)-2,2-diethyloxan-4-amine?
N-(1-cyclopropylpropan-2-yl)-2,2-diethyloxan-4-amine has a molecular weight of 239.40 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropan-2-yl)-2,2-diethyloxan-4-amine is sourced from PubChem (CID 115897078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).