N-[[2-cyclopropyl-3-(cyclopropylmethoxymethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine

C17H31NO2 — CID 106930991

IUPACN-[[2-cyclopropyl-3-(cyclopropylmethoxymethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(COCC2CC2)CCOC1C1CC1
InChIInChI=1S/C17H31NO2/c1-13(2)9-18-11-17(12-19-10-14-3-4-14)7-8-20-16(17)15-5-6-15/h13-16,18H,3-12H2,1-2H3
InChIKeyFVENXSNXVKESRN-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.84
Rot. Bonds9

About N-[[2-cyclopropyl-3-(cyclopropylmethoxymethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine

N-[[2-cyclopropyl-3-(cyclopropylmethoxymethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 106930991) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is N-[[2-cyclopropyl-3-(cyclopropylmethoxymethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-cyclopropyl-3-(cyclopropylmethoxymethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID106930991
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC NameN-[[2-cyclopropyl-3-(cyclopropylmethoxymethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(COCC2CC2)CCOC1C1CC1
InChIInChI=1S/C17H31NO2/c1-13(2)9-18-11-17(12-19-10-14-3-4-14)7-8-20-16(17)15-5-6-15/h13-16,18H,3-12H2,1-2H3
InChIKeyFVENXSNXVKESRN-UHFFFAOYSA-N
XLogP2.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-cyclopropyl-3-(cyclopropylmethoxymethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-cyclopropyl-3-(cyclopropylmethoxymethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine (CID 106930991) is N-[[2-cyclopropyl-3-(cyclopropylmethoxymethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-cyclopropyl-3-(cyclopropylmethoxymethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-cyclopropyl-3-(cyclopropylmethoxymethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1(COCC2CC2)CCOC1C1CC1.
What is the InChIKey of N-[[2-cyclopropyl-3-(cyclopropylmethoxymethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is FVENXSNXVKESRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-13(2)9-18-11-17(12-19-10-14-3-4-14)7-8-20-16(17)15-5-6-15/h13-16,18H,3-12H2,1-2H3.
What are the key properties of N-[[2-cyclopropyl-3-(cyclopropylmethoxymethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine?
N-[[2-cyclopropyl-3-(cyclopropylmethoxymethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 2.84, 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-(cyclopropylmethoxymethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 106930991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).