N-[3-methoxy-2-(oxolan-3-ylmethoxy)propyl]cyclopropanamine

C12H23NO3 — CID 103228592

IUPACN-[3-methoxy-2-(oxolan-3-ylmethoxy)propyl]cyclopropanamine
SMILESCOCC(CNC1CC1)OCC1CCOC1
InChIInChI=1S/C12H23NO3/c1-14-9-12(6-13-11-2-3-11)16-8-10-4-5-15-7-10/h10-13H,2-9H2,1H3
InChIKeySKYPNMSAXALBTM-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.81
Rot. Bonds8

About N-[3-methoxy-2-(oxolan-3-ylmethoxy)propyl]cyclopropanamine

N-[3-methoxy-2-(oxolan-3-ylmethoxy)propyl]cyclopropanamine (PubChem CID 103228592) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-[3-methoxy-2-(oxolan-3-ylmethoxy)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-methoxy-2-(oxolan-3-ylmethoxy)propyl]cyclopropanamine
PubChem CID103228592
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC NameN-[3-methoxy-2-(oxolan-3-ylmethoxy)propyl]cyclopropanamine
SMILESCOCC(CNC1CC1)OCC1CCOC1
InChIInChI=1S/C12H23NO3/c1-14-9-12(6-13-11-2-3-11)16-8-10-4-5-15-7-10/h10-13H,2-9H2,1H3
InChIKeySKYPNMSAXALBTM-UHFFFAOYSA-N
XLogP0.81
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-methyl-2-(oxolan-3-ylmethoxy)butyl]cyclopropanamine
CID 62485595
N-[3-methoxy-2-(2-methylpropoxy)propyl]cyclopropanamine
CID 103227787
3-methoxy-2-(oxan-4-ylmethoxy)-N-propylpropan-1-amine
CID 103228633
N-[2-(4-methoxyphenyl)-2-(oxolan-3-ylmethoxy)ethyl]cyclopropanamine
CID 62111242
N-[4-(oxolan-3-ylmethoxy)pentyl]cyclopropanamine
CID 62486502
N-[3-methoxy-2-[(1-methylpiperidin-2-yl)methoxy]propyl]cyclopropanamine
CID 103228803
ethane;3-(methoxymethyl)oxolane
CID 143285946
N-(2,3-dimethoxypropyl)-4-methoxycyclohexan-1-amine
CID 104530610
2-(cyclopentylmethoxy)-3-methoxy-N-methylpropan-1-amine
CID 103228841
N-[[(3S)-oxolan-3-yl]methyl]cyclopropanamine
CID 30427697
N-ethyl-3-methyl-2-(oxolan-3-ylmethoxy)butan-1-amine
CID 62485416
N-[2,2-dimethyl-3-(oxolan-3-ylmethoxy)propyl]cyclopropanamine
CID 79628640

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-2-(oxolan-3-ylmethoxy)propyl]cyclopropanamine?
The IUPAC name of N-[3-methoxy-2-(oxolan-3-ylmethoxy)propyl]cyclopropanamine (CID 103228592) is N-[3-methoxy-2-(oxolan-3-ylmethoxy)propyl]cyclopropanamine.
What is the SMILES notation for N-[3-methoxy-2-(oxolan-3-ylmethoxy)propyl]cyclopropanamine?
The canonical SMILES for N-[3-methoxy-2-(oxolan-3-ylmethoxy)propyl]cyclopropanamine is COCC(CNC1CC1)OCC1CCOC1.
What is the InChIKey of N-[3-methoxy-2-(oxolan-3-ylmethoxy)propyl]cyclopropanamine?
The InChIKey is SKYPNMSAXALBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-14-9-12(6-13-11-2-3-11)16-8-10-4-5-15-7-10/h10-13H,2-9H2,1H3.
What are the key properties of N-[3-methoxy-2-(oxolan-3-ylmethoxy)propyl]cyclopropanamine?
N-[3-methoxy-2-(oxolan-3-ylmethoxy)propyl]cyclopropanamine has a molecular weight of 229.32 g/mol, XLogP of 0.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-2-(oxolan-3-ylmethoxy)propyl]cyclopropanamine is sourced from PubChem (CID 103228592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).