1-(furan-2-yl)-1-N-methyl-1-N-(oxan-4-ylmethyl)butane-1,2-diamine

C15H26N2O2 — CID 63725736

IUPAC1-(furan-2-yl)-1-N-methyl-1-N-(oxan-4-ylmethyl)butane-1,2-diamine
SMILESCCC(N)C(c1ccco1)N(C)CC1CCOCC1
InChIInChI=1S/C15H26N2O2/c1-3-13(16)15(14-5-4-8-19-14)17(2)11-12-6-9-18-10-7-12/h4-5,8,12-13,15H,3,6-7,9-11,16H2,1-2H3
InChIKeyFCOZQLWLSNATLR-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.42
Rot. Bonds6

About 1-(furan-2-yl)-1-N-methyl-1-N-(oxan-4-ylmethyl)butane-1,2-diamine

1-(furan-2-yl)-1-N-methyl-1-N-(oxan-4-ylmethyl)butane-1,2-diamine (PubChem CID 63725736) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-(furan-2-yl)-1-N-methyl-1-N-(oxan-4-ylmethyl)butane-1,2-diamine.

Molecular Properties

Compound Name1-(furan-2-yl)-1-N-methyl-1-N-(oxan-4-ylmethyl)butane-1,2-diamine
PubChem CID63725736
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-(furan-2-yl)-1-N-methyl-1-N-(oxan-4-ylmethyl)butane-1,2-diamine
SMILESCCC(N)C(c1ccco1)N(C)CC1CCOCC1
InChIInChI=1S/C15H26N2O2/c1-3-13(16)15(14-5-4-8-19-14)17(2)11-12-6-9-18-10-7-12/h4-5,8,12-13,15H,3,6-7,9-11,16H2,1-2H3
InChIKeyFCOZQLWLSNATLR-UHFFFAOYSA-N
XLogP2.42
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-yl)-1-N-methyl-1-N-(oxan-3-ylmethyl)butane-1,2-diamine
CID 63725204
1-(4-fluorophenyl)-1-N-methyl-1-N-(oxan-4-ylmethyl)butane-1,2-diamine
CID 63726256
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(furan-2-yl)-1-N-methylbutane-1,2-diamine
CID 63688288
1-N-(cyclopropylmethyl)-1-N-methyl-1-(2-methylphenyl)butane-1,2-diamine
CID 55017993
1-(4-chlorophenyl)-1-N-(cyclopropylmethyl)-1-N-methylbutane-1,2-diamine
CID 55015238
1-(4-fluorophenyl)-1-N-methyl-1-N-(oxan-4-ylmethyl)propane-1,2-diamine
CID 63727122
2-(1-aminopropyl)-N-methyl-N-(oxan-4-ylmethyl)aniline
CID 112678152
2-[(1S)-1-aminopropyl]-N-methyl-N-(oxan-4-ylmethyl)aniline
CID 103958935
3-[[2-amino-1-(furan-2-yl)butyl]-methylamino]butanenitrile
CID 55174905
1-N-(cyclopentylmethyl)-1-(2-fluorophenyl)-1-N-methylbutane-1,2-diamine
CID 63633108
1-(furan-2-yl)-1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine
CID 63841942
1-N-methyl-1-(4-methylphenyl)-1-N-(oxan-3-ylmethyl)butane-1,2-diamine
CID 63727618

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-1-N-methyl-1-N-(oxan-4-ylmethyl)butane-1,2-diamine?
The IUPAC name of 1-(furan-2-yl)-1-N-methyl-1-N-(oxan-4-ylmethyl)butane-1,2-diamine (CID 63725736) is 1-(furan-2-yl)-1-N-methyl-1-N-(oxan-4-ylmethyl)butane-1,2-diamine.
What is the SMILES notation for 1-(furan-2-yl)-1-N-methyl-1-N-(oxan-4-ylmethyl)butane-1,2-diamine?
The canonical SMILES for 1-(furan-2-yl)-1-N-methyl-1-N-(oxan-4-ylmethyl)butane-1,2-diamine is CCC(N)C(c1ccco1)N(C)CC1CCOCC1.
What is the InChIKey of 1-(furan-2-yl)-1-N-methyl-1-N-(oxan-4-ylmethyl)butane-1,2-diamine?
The InChIKey is FCOZQLWLSNATLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-3-13(16)15(14-5-4-8-19-14)17(2)11-12-6-9-18-10-7-12/h4-5,8,12-13,15H,3,6-7,9-11,16H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-1-N-methyl-1-N-(oxan-4-ylmethyl)butane-1,2-diamine?
1-(furan-2-yl)-1-N-methyl-1-N-(oxan-4-ylmethyl)butane-1,2-diamine has a molecular weight of 266.38 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-1-N-methyl-1-N-(oxan-4-ylmethyl)butane-1,2-diamine is sourced from PubChem (CID 63725736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).