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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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).