N-[[5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine

C16H30N2O2 — CID 62429287

IUPACN-[[5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine
SMILESCCN(CC1CCCO1)CC1CCC(CNC2CC2)O1
InChIInChI=1S/C16H30N2O2/c1-2-18(11-15-4-3-9-19-15)12-16-8-7-14(20-16)10-17-13-5-6-13/h13-17H,2-12H2,1H3
InChIKeyQMOGXBPFBXPTCJ-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.79
Rot. Bonds8

About N-[[5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine

N-[[5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine (PubChem CID 62429287) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[[5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine
PubChem CID62429287
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN-[[5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine
SMILESCCN(CC1CCCO1)CC1CCC(CNC2CC2)O1
InChIInChI=1S/C16H30N2O2/c1-2-18(11-15-4-3-9-19-15)12-16-8-7-14(20-16)10-17-13-5-6-13/h13-17H,2-12H2,1H3
InChIKeyQMOGXBPFBXPTCJ-UHFFFAOYSA-N
XLogP1.79
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine (CID 62429287) is N-[[5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine is CCN(CC1CCCO1)CC1CCC(CNC2CC2)O1.
What is the InChIKey of N-[[5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine?
The InChIKey is QMOGXBPFBXPTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-2-18(11-15-4-3-9-19-15)12-16-8-7-14(20-16)10-17-13-5-6-13/h13-17H,2-12H2,1H3.
What are the key properties of N-[[5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine?
N-[[5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine has a molecular weight of 282.43 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62429287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).