N-[[4-(oxan-4-ylmethyl)oxan-4-yl]methyl]cyclopropanamine

C15H27NO2 — CID 62907143

IUPACN-[[4-(oxan-4-ylmethyl)oxan-4-yl]methyl]cyclopropanamine
SMILESC1CC(CC2(CNC3CC3)CCOCC2)CCO1
InChIInChI=1S/C15H27NO2/c1-2-14(1)16-12-15(5-9-18-10-6-15)11-13-3-7-17-8-4-13/h13-14,16H,1-12H2
InChIKeyKIKYZOWTOIZYLU-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.35
Rot. Bonds5

About N-[[4-(oxan-4-ylmethyl)oxan-4-yl]methyl]cyclopropanamine

N-[[4-(oxan-4-ylmethyl)oxan-4-yl]methyl]cyclopropanamine (PubChem CID 62907143) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[[4-(oxan-4-ylmethyl)oxan-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(oxan-4-ylmethyl)oxan-4-yl]methyl]cyclopropanamine
PubChem CID62907143
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC NameN-[[4-(oxan-4-ylmethyl)oxan-4-yl]methyl]cyclopropanamine
SMILESC1CC(CC2(CNC3CC3)CCOCC2)CCO1
InChIInChI=1S/C15H27NO2/c1-2-14(1)16-12-15(5-9-18-10-6-15)11-13-3-7-17-8-4-13/h13-14,16H,1-12H2
InChIKeyKIKYZOWTOIZYLU-UHFFFAOYSA-N
XLogP2.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(oxan-4-ylmethyl)oxan-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(oxan-4-ylmethyl)oxan-4-yl]methyl]cyclopropanamine (CID 62907143) is N-[[4-(oxan-4-ylmethyl)oxan-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(oxan-4-ylmethyl)oxan-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(oxan-4-ylmethyl)oxan-4-yl]methyl]cyclopropanamine is C1CC(CC2(CNC3CC3)CCOCC2)CCO1.
What is the InChIKey of N-[[4-(oxan-4-ylmethyl)oxan-4-yl]methyl]cyclopropanamine?
The InChIKey is KIKYZOWTOIZYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-2-14(1)16-12-15(5-9-18-10-6-15)11-13-3-7-17-8-4-13/h13-14,16H,1-12H2.
What are the key properties of N-[[4-(oxan-4-ylmethyl)oxan-4-yl]methyl]cyclopropanamine?
N-[[4-(oxan-4-ylmethyl)oxan-4-yl]methyl]cyclopropanamine has a molecular weight of 253.39 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(oxan-4-ylmethyl)oxan-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62907143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).