N-[[5-(heptoxymethyl)oxolan-2-yl]methyl]cyclopropanamine

C16H31NO2 — CID 62457537

IUPACN-[[5-(heptoxymethyl)oxolan-2-yl]methyl]cyclopropanamine
SMILESCCCCCCCOCC1CCC(CNC2CC2)O1
InChIInChI=1S/C16H31NO2/c1-2-3-4-5-6-11-18-13-16-10-9-15(19-16)12-17-14-7-8-14/h14-17H,2-13H2,1H3
InChIKeyHNWHARXEJNXMIN-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.27
Rot. Bonds11

About N-[[5-(heptoxymethyl)oxolan-2-yl]methyl]cyclopropanamine

N-[[5-(heptoxymethyl)oxolan-2-yl]methyl]cyclopropanamine (PubChem CID 62457537) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is N-[[5-(heptoxymethyl)oxolan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(heptoxymethyl)oxolan-2-yl]methyl]cyclopropanamine
PubChem CID62457537
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC NameN-[[5-(heptoxymethyl)oxolan-2-yl]methyl]cyclopropanamine
SMILESCCCCCCCOCC1CCC(CNC2CC2)O1
InChIInChI=1S/C16H31NO2/c1-2-3-4-5-6-11-18-13-16-10-9-15(19-16)12-17-14-7-8-14/h14-17H,2-13H2,1H3
InChIKeyHNWHARXEJNXMIN-UHFFFAOYSA-N
XLogP3.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(hexoxymethyl)oxolan-2-yl]methyl]ethanamine
CID 55077566
N-[[5-(ethoxymethyl)oxolan-2-yl]methyl]cyclopropanamine
CID 62444292
N-(iodomethyl)-1-[(2S,5R)-5-(octadecoxymethyl)oxolan-2-yl]methanamine
CID 144869857
N-[[5-[2-(dimethylamino)ethoxymethyl]oxolan-2-yl]methyl]cyclopropanamine
CID 62459470
[(2S,5S)-5-(octadecoxymethyl)oxolan-2-yl]methylazanium
CID 140746023
N-[[5-(2-cyclobutylethoxymethyl)oxolan-2-yl]methyl]cyclopropanamine
CID 106206023
N-[[5-(butoxymethyl)oxolan-2-yl]methyl]propan-1-amine
CID 62450434
2-[2-[[(2S,5S)-5-(dodecoxymethyl)oxolan-2-yl]methylamino]ethoxy]ethanol
CID 118173215
2-(hexadecoxymethyl)-5-methyloxolane
CID 68865458
N-[[5-[2-[cyclopropyl(methyl)amino]ethoxymethyl]oxolan-2-yl]methyl]cyclopropanamine
CID 102740842
N-[[5-(2-methylpropoxymethyl)oxolan-2-yl]methyl]cyclopropanamine
CID 62444938
butane;2-(dodecoxymethyl)-5-methyloxolane
CID 144869881

Frequently Asked Questions

What is the IUPAC name of N-[[5-(heptoxymethyl)oxolan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(heptoxymethyl)oxolan-2-yl]methyl]cyclopropanamine (CID 62457537) is N-[[5-(heptoxymethyl)oxolan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(heptoxymethyl)oxolan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(heptoxymethyl)oxolan-2-yl]methyl]cyclopropanamine is CCCCCCCOCC1CCC(CNC2CC2)O1.
What is the InChIKey of N-[[5-(heptoxymethyl)oxolan-2-yl]methyl]cyclopropanamine?
The InChIKey is HNWHARXEJNXMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-2-3-4-5-6-11-18-13-16-10-9-15(19-16)12-17-14-7-8-14/h14-17H,2-13H2,1H3.
What are the key properties of N-[[5-(heptoxymethyl)oxolan-2-yl]methyl]cyclopropanamine?
N-[[5-(heptoxymethyl)oxolan-2-yl]methyl]cyclopropanamine has a molecular weight of 269.43 g/mol, XLogP of 3.27, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(heptoxymethyl)oxolan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62457537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).