N-[[5-(oxan-4-ylmethoxymethyl)oxolan-2-yl]methyl]cyclopropanamine

C15H27NO3 — CID 62471799

IUPACN-[[5-(oxan-4-ylmethoxymethyl)oxolan-2-yl]methyl]cyclopropanamine
SMILESC1CC(COCC2CCC(CNC3CC3)O2)CCO1
InChIInChI=1S/C15H27NO3/c1-2-13(1)16-9-14-3-4-15(19-14)11-18-10-12-5-7-17-8-6-12/h12-16H,1-11H2
InChIKeyUTNMFHTVUWHNJC-UHFFFAOYSA-N
MW269.38 g/mol
LogP1.73
Rot. Bonds7

About N-[[5-(oxan-4-ylmethoxymethyl)oxolan-2-yl]methyl]cyclopropanamine

N-[[5-(oxan-4-ylmethoxymethyl)oxolan-2-yl]methyl]cyclopropanamine (PubChem CID 62471799) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is N-[[5-(oxan-4-ylmethoxymethyl)oxolan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(oxan-4-ylmethoxymethyl)oxolan-2-yl]methyl]cyclopropanamine
PubChem CID62471799
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC NameN-[[5-(oxan-4-ylmethoxymethyl)oxolan-2-yl]methyl]cyclopropanamine
SMILESC1CC(COCC2CCC(CNC3CC3)O2)CCO1
InChIInChI=1S/C15H27NO3/c1-2-13(1)16-9-14-3-4-15(19-14)11-18-10-12-5-7-17-8-6-12/h12-16H,1-11H2
InChIKeyUTNMFHTVUWHNJC-UHFFFAOYSA-N
XLogP1.73
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(ethoxymethyl)oxolan-2-yl]methyl]cyclopropanamine
CID 62444292
N-[[5-(2-cyclobutylethoxymethyl)oxolan-2-yl]methyl]cyclopropanamine
CID 106206023
N-[[5-(2-methylpropoxymethyl)oxolan-2-yl]methyl]cyclopropanamine
CID 62444938
N-[[5-(heptoxymethyl)oxolan-2-yl]methyl]cyclopropanamine
CID 62457537
N-[[5-[2-(dimethylamino)ethoxymethyl]oxolan-2-yl]methyl]cyclopropanamine
CID 62459470
2-methyl-N-[[5-(oxolan-3-ylmethoxymethyl)oxolan-2-yl]methyl]propan-2-amine
CID 62484891
N-[[5-[[2-(dimethylamino)-2-methylpropoxy]methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 79679779
N-[[5-(cyclopropylmethoxymethyl)oxolan-2-yl]methyl]ethanamine
CID 62457821
N-[(5-methyloxolan-2-yl)methyl]oxan-4-amine
CID 82834063
N-[[5-[2-[cyclopropyl(methyl)amino]ethoxymethyl]oxolan-2-yl]methyl]cyclopropanamine
CID 102740842
N-[[5-(cyclopentylmethoxymethyl)oxolan-2-yl]methyl]-2-methylpropan-2-amine
CID 66324414
N-(oxan-4-ylmethyl)cycloheptanamine
CID 61269563

Frequently Asked Questions

What is the IUPAC name of N-[[5-(oxan-4-ylmethoxymethyl)oxolan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(oxan-4-ylmethoxymethyl)oxolan-2-yl]methyl]cyclopropanamine (CID 62471799) is N-[[5-(oxan-4-ylmethoxymethyl)oxolan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(oxan-4-ylmethoxymethyl)oxolan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(oxan-4-ylmethoxymethyl)oxolan-2-yl]methyl]cyclopropanamine is C1CC(COCC2CCC(CNC3CC3)O2)CCO1.
What is the InChIKey of N-[[5-(oxan-4-ylmethoxymethyl)oxolan-2-yl]methyl]cyclopropanamine?
The InChIKey is UTNMFHTVUWHNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-2-13(1)16-9-14-3-4-15(19-14)11-18-10-12-5-7-17-8-6-12/h12-16H,1-11H2.
What are the key properties of N-[[5-(oxan-4-ylmethoxymethyl)oxolan-2-yl]methyl]cyclopropanamine?
N-[[5-(oxan-4-ylmethoxymethyl)oxolan-2-yl]methyl]cyclopropanamine has a molecular weight of 269.38 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(oxan-4-ylmethoxymethyl)oxolan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62471799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).