1-(furan-2-yl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine

C14H26N2O — CID 102912745

IUPAC1-(furan-2-yl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
SMILESCC(C)C(CNC(CN)c1ccco1)C(C)C
InChIInChI=1S/C14H26N2O/c1-10(2)12(11(3)4)9-16-13(8-15)14-6-5-7-17-14/h5-7,10-13,16H,8-9,15H2,1-4H3
InChIKeyXCIOFTZZYAFAKH-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.80
Rot. Bonds7

About 1-(furan-2-yl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine

1-(furan-2-yl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine (PubChem CID 102912745) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
PubChem CID102912745
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-(furan-2-yl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
SMILESCC(C)C(CNC(CN)c1ccco1)C(C)C
InChIInChI=1S/C14H26N2O/c1-10(2)12(11(3)4)9-16-13(8-15)14-6-5-7-17-14/h5-7,10-13,16H,8-9,15H2,1-4H3
InChIKeyXCIOFTZZYAFAKH-UHFFFAOYSA-N
XLogP2.80
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyphenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102912491
1-(furan-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine
CID 114466709
N'-[1-(furan-2-yl)propyl]ethane-1,2-diamine
CID 62633441
1-(furan-2-yl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine
CID 81403040
2-ethyl-1-(furan-2-yl)-3-methylbutan-1-amine
CID 82408122
1-(4-ethoxyphenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102912603
N-[1-(furan-2-yl)propyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 62634141
1-(3-chloro-4-methylphenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 106817559
N'-[1-(furan-2-yl)propyl]butane-1,4-diamine
CID 62633443
N'-[1-(furan-2-yl)ethyl]propane-1,3-diamine
CID 60889681
2-N-(3-methyl-2-propan-2-ylbutyl)-3-phenylbutane-1,2-diamine
CID 102912703
N-[(1S)-1-(furan-2-yl)-2-phenylethyl]propan-2-amine
CID 125485917

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine?
The IUPAC name of 1-(furan-2-yl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine (CID 102912745) is 1-(furan-2-yl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(furan-2-yl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine?
The canonical SMILES for 1-(furan-2-yl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine is CC(C)C(CNC(CN)c1ccco1)C(C)C.
What is the InChIKey of 1-(furan-2-yl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine?
The InChIKey is XCIOFTZZYAFAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-10(2)12(11(3)4)9-16-13(8-15)14-6-5-7-17-14/h5-7,10-13,16H,8-9,15H2,1-4H3.
What are the key properties of 1-(furan-2-yl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine?
1-(furan-2-yl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine has a molecular weight of 238.37 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine is sourced from PubChem (CID 102912745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).