1-(furan-3-yl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine

C14H26N2O — CID 79064609

IUPAC1-(furan-3-yl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine
SMILESCCCNC(c1ccoc1)C(C)(CC)N(C)C
InChIInChI=1S/C14H26N2O/c1-6-9-15-13(12-8-10-17-11-12)14(3,7-2)16(4)5/h8,10-11,13,15H,6-7,9H2,1-5H3
InChIKeyLABIOFLIRQPYFV-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.05
Rot. Bonds7

About 1-(furan-3-yl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine

1-(furan-3-yl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine (PubChem CID 79064609) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-(furan-3-yl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name1-(furan-3-yl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine
PubChem CID79064609
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-(furan-3-yl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine
SMILESCCCNC(c1ccoc1)C(C)(CC)N(C)C
InChIInChI=1S/C14H26N2O/c1-6-9-15-13(12-8-10-17-11-12)14(3,7-2)16(4)5/h8,10-11,13,15H,6-7,9H2,1-5H3
InChIKeyLABIOFLIRQPYFV-UHFFFAOYSA-N
XLogP3.05
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,2-N,2-trimethyl-1-(4-propan-2-ylphenyl)-1-N-propylbutane-1,2-diamine
CID 79057289
1-N,2-N,2-N-triethyl-1-(furan-3-yl)-2-methylbutane-1,2-diamine
CID 79069153
2-ethoxy-1-(furan-3-yl)-2-methyl-N-propylbutan-1-amine
CID 116759332
2-N,2-N,2-trimethyl-1-(5-methylthiophen-2-yl)-1-N-propylbutane-1,2-diamine
CID 79062925
2-ethyl-1-(furan-3-yl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 79062006
2-N,2-N,2-trimethyl-1-(4-methyl-3-pyridinyl)-1-N-propylbutane-1,2-diamine
CID 79063909
1-N-ethyl-2-N,2-N,2-trimethyl-1-phenylbutane-1,2-diamine
CID 79063158
1-(4-fluoro-2-methylphenyl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine
CID 79063546
1-(2-fluoro-5-methylphenyl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine
CID 79063671
N-[2,2-difluoro-1-(furan-3-yl)ethyl]propan-1-amine
CID 103759862
1-(furan-3-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 103027176
1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine
CID 114656777

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine?
The IUPAC name of 1-(furan-3-yl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine (CID 79064609) is 1-(furan-3-yl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine.
What is the SMILES notation for 1-(furan-3-yl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine?
The canonical SMILES for 1-(furan-3-yl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine is CCCNC(c1ccoc1)C(C)(CC)N(C)C.
What is the InChIKey of 1-(furan-3-yl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine?
The InChIKey is LABIOFLIRQPYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-6-9-15-13(12-8-10-17-11-12)14(3,7-2)16(4)5/h8,10-11,13,15H,6-7,9H2,1-5H3.
What are the key properties of 1-(furan-3-yl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine?
1-(furan-3-yl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine has a molecular weight of 238.37 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine is sourced from PubChem (CID 79064609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).