N-[[2-cyclopropyl-3-(3-ethoxypropyl)oxolan-3-yl]methyl]cyclopropanamine

C16H29NO2 — CID 104510013

IUPACN-[[2-cyclopropyl-3-(3-ethoxypropyl)oxolan-3-yl]methyl]cyclopropanamine
SMILESCCOCCCC1(CNC2CC2)CCOC1C1CC1
InChIInChI=1S/C16H29NO2/c1-2-18-10-3-8-16(12-17-14-6-7-14)9-11-19-15(16)13-4-5-13/h13-15,17H,2-12H2,1H3
InChIKeyCMWGMFFBFKSAIU-UHFFFAOYSA-N
MW267.41 g/mol
LogP2.74
Rot. Bonds9

About N-[[2-cyclopropyl-3-(3-ethoxypropyl)oxolan-3-yl]methyl]cyclopropanamine

N-[[2-cyclopropyl-3-(3-ethoxypropyl)oxolan-3-yl]methyl]cyclopropanamine (PubChem CID 104510013) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is N-[[2-cyclopropyl-3-(3-ethoxypropyl)oxolan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-cyclopropyl-3-(3-ethoxypropyl)oxolan-3-yl]methyl]cyclopropanamine
PubChem CID104510013
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC NameN-[[2-cyclopropyl-3-(3-ethoxypropyl)oxolan-3-yl]methyl]cyclopropanamine
SMILESCCOCCCC1(CNC2CC2)CCOC1C1CC1
InChIInChI=1S/C16H29NO2/c1-2-18-10-3-8-16(12-17-14-6-7-14)9-11-19-15(16)13-4-5-13/h13-15,17H,2-12H2,1H3
InChIKeyCMWGMFFBFKSAIU-UHFFFAOYSA-N
XLogP2.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.74
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-[[2-cyclopropyl-3-(2-ethoxyethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 113420877
3-(chloromethyl)-2-cyclopropyl-3-(3-ethoxypropyl)oxolane
CID 104510552
N-[[2-cyclopropyl-3-[2-(2-methylpropoxy)ethyl]oxolan-3-yl]methyl]cyclopropanamine
CID 106457296
[2-cyclopropyl-3-(2-ethoxyethyl)oxolan-3-yl]methanamine
CID 104509396
N-[[2-cyclopropyl-3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]ethanamine
CID 104509767
N-[[2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 106706218
N-[[3-[(4-bromophenyl)methyl]-2-cyclopropyloxolan-3-yl]methyl]cyclopropanamine
CID 104509960
N-[(2-cyclopropyl-3-hexyloxolan-3-yl)methyl]propan-2-amine
CID 104509877
N-[(2-cyclopropyl-3-propyloxolan-3-yl)methyl]propan-2-amine
CID 104509924
N-[[2-methyl-3-(3-methylsulfanylpropyl)oxolan-3-yl]methyl]cyclopropanamine
CID 114534915
N-[[2-cyclopropyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 104510024
N-[[2-cyclopropyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 104509991

Frequently Asked Questions

What is the IUPAC name of N-[[2-cyclopropyl-3-(3-ethoxypropyl)oxolan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-cyclopropyl-3-(3-ethoxypropyl)oxolan-3-yl]methyl]cyclopropanamine (CID 104510013) is N-[[2-cyclopropyl-3-(3-ethoxypropyl)oxolan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-cyclopropyl-3-(3-ethoxypropyl)oxolan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-cyclopropyl-3-(3-ethoxypropyl)oxolan-3-yl]methyl]cyclopropanamine is CCOCCCC1(CNC2CC2)CCOC1C1CC1.
What is the InChIKey of N-[[2-cyclopropyl-3-(3-ethoxypropyl)oxolan-3-yl]methyl]cyclopropanamine?
The InChIKey is CMWGMFFBFKSAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-2-18-10-3-8-16(12-17-14-6-7-14)9-11-19-15(16)13-4-5-13/h13-15,17H,2-12H2,1H3.
What are the key properties of N-[[2-cyclopropyl-3-(3-ethoxypropyl)oxolan-3-yl]methyl]cyclopropanamine?
N-[[2-cyclopropyl-3-(3-ethoxypropyl)oxolan-3-yl]methyl]cyclopropanamine has a molecular weight of 267.41 g/mol, XLogP of 2.74, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-cyclopropyl-3-(3-ethoxypropyl)oxolan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 104510013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).