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

C16H23NOS — CID 104509991

IUPACN-[[2-cyclopropyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine
SMILESc1cc(CC2(CNC3CC3)CCOC2C2CC2)cs1
InChIInChI=1S/C16H23NOS/c1-2-13(1)15-16(6-7-18-15,11-17-14-3-4-14)9-12-5-8-19-10-12/h5,8,10,13-15,17H,1-4,6-7,9,11H2
InChIKeyPYMFBPLHCODJFZ-UHFFFAOYSA-N
MW277.43 g/mol
LogP3.23
Rot. Bonds6

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

N-[[2-cyclopropyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine (PubChem CID 104509991) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is N-[[2-cyclopropyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-cyclopropyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine
PubChem CID104509991
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC NameN-[[2-cyclopropyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine
SMILESc1cc(CC2(CNC3CC3)CCOC2C2CC2)cs1
InChIInChI=1S/C16H23NOS/c1-2-13(1)15-16(6-7-18-15,11-17-14-3-4-14)9-12-5-8-19-10-12/h5,8,10,13-15,17H,1-4,6-7,9,11H2
InChIKeyPYMFBPLHCODJFZ-UHFFFAOYSA-N
XLogP3.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-cyclopropyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[3-[(4-bromophenyl)methyl]-2-cyclopropyloxolan-3-yl]methyl]cyclopropanamine
CID 104509960
N-[[3-[(5-bromo-3-pyridinyl)methyl]-2-cyclopropyloxolan-3-yl]methyl]cyclopropanamine
CID 104810984
N-[[2-cyclopropyl-3-(2-thiophen-3-ylethyl)oxolan-3-yl]methyl]ethanamine
CID 104509696
N-[[2-cyclopropyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 104510024
N-[[3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 62719385
N-[[2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]ethanamine
CID 114534386
[2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methanamine
CID 114534046
N-[[4-tert-butyl-1-(thiophen-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine
CID 63507890
3-[[2-cyclopropyl-3-(methylaminomethyl)oxolan-3-yl]methyl]phenol
CID 104509630
N-[[2-cyclopropyl-3-(2-ethoxyethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 113420877
N-[[3-[(2,6-dimethylphenyl)methyl]-2-methyloxolan-3-yl]methyl]cyclopropanamine
CID 114534899
N-[[3-[(4-bromothiophen-2-yl)methyl]-2-cyclopropyloxolan-3-yl]methyl]ethanamine
CID 104509700

Frequently Asked Questions

What is the IUPAC name of N-[[2-cyclopropyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-cyclopropyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine (CID 104509991) is N-[[2-cyclopropyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-cyclopropyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-cyclopropyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine is c1cc(CC2(CNC3CC3)CCOC2C2CC2)cs1.
What is the InChIKey of N-[[2-cyclopropyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine?
The InChIKey is PYMFBPLHCODJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-2-13(1)15-16(6-7-18-15,11-17-14-3-4-14)9-12-5-8-19-10-12/h5,8,10,13-15,17H,1-4,6-7,9,11H2.
What are the key properties of N-[[2-cyclopropyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine?
N-[[2-cyclopropyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine has a molecular weight of 277.43 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-cyclopropyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 104509991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).