N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-3-yl]methyl]cyclopropanamine

C15H24N2O2 — CID 62974113

IUPACN-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-3-yl]methyl]cyclopropanamine
SMILESCC1CN(Cc2cc(CNC3CC3)co2)CCCO1
InChIInChI=1S/C15H24N2O2/c1-12-9-17(5-2-6-18-12)10-15-7-13(11-19-15)8-16-14-3-4-14/h7,11-12,14,16H,2-6,8-10H2,1H3
InChIKeyMOSDBTJIVNUWNC-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.14
Rot. Bonds5

About N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-3-yl]methyl]cyclopropanamine

N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-3-yl]methyl]cyclopropanamine (PubChem CID 62974113) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-3-yl]methyl]cyclopropanamine
PubChem CID62974113
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-3-yl]methyl]cyclopropanamine
SMILESCC1CN(Cc2cc(CNC3CC3)co2)CCCO1
InChIInChI=1S/C15H24N2O2/c1-12-9-17(5-2-6-18-12)10-15-7-13(11-19-15)8-16-14-3-4-14/h7,11-12,14,16H,2-6,8-10H2,1H3
InChIKeyMOSDBTJIVNUWNC-UHFFFAOYSA-N
XLogP2.14
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-3-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62974101
1-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,N-dimethylpiperidin-4-amine
CID 62432280
2-methyl-N-[[5-[(2-methylmorpholin-4-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 62439121
N-[[2-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62973751
N-[[5-[(4-propylpiperazin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62423623
N-[[5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 107395572
N-[[6-[(2-methyl-1,4-oxazepan-4-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106906469
N-[[5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 102746010
N-[[5-[(3-ethylmorpholin-4-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62432226
N-methyl-1-[5-[(3-methylpyrrolidin-1-yl)methyl]furan-3-yl]methanamine
CID 62428197
N-methyl-1-[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-2-yl]methanamine
CID 62973922
1-[5-[(3-ethylpiperidin-1-yl)methyl]furan-3-yl]-N-methylmethanamine
CID 62432874

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-3-yl]methyl]cyclopropanamine (CID 62974113) is N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-3-yl]methyl]cyclopropanamine is CC1CN(Cc2cc(CNC3CC3)co2)CCCO1.
What is the InChIKey of N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-3-yl]methyl]cyclopropanamine?
The InChIKey is MOSDBTJIVNUWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12-9-17(5-2-6-18-12)10-15-7-13(11-19-15)8-16-14-3-4-14/h7,11-12,14,16H,2-6,8-10H2,1H3.
What are the key properties of N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-3-yl]methyl]cyclopropanamine?
N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-3-yl]methyl]cyclopropanamine has a molecular weight of 264.37 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62974113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).