1-N-[2-(furan-2-yl)ethyl]-2,2,3-trimethylbutane-1,3-diamine

C13H24N2O — CID 65266782

IUPAC1-N-[2-(furan-2-yl)ethyl]-2,2,3-trimethylbutane-1,3-diamine
SMILESCC(C)(N)C(C)(C)CNCCc1ccco1
InChIInChI=1S/C13H24N2O/c1-12(2,13(3,4)14)10-15-8-7-11-6-5-9-16-11/h5-6,9,15H,7-8,10,14H2,1-4H3
InChIKeyPIXGSYDBTDHHRH-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.18
Rot. Bonds6

About 1-N-[2-(furan-2-yl)ethyl]-2,2,3-trimethylbutane-1,3-diamine

1-N-[2-(furan-2-yl)ethyl]-2,2,3-trimethylbutane-1,3-diamine (PubChem CID 65266782) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-N-[2-(furan-2-yl)ethyl]-2,2,3-trimethylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N-[2-(furan-2-yl)ethyl]-2,2,3-trimethylbutane-1,3-diamine
PubChem CID65266782
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-N-[2-(furan-2-yl)ethyl]-2,2,3-trimethylbutane-1,3-diamine
SMILESCC(C)(N)C(C)(C)CNCCc1ccco1
InChIInChI=1S/C13H24N2O/c1-12(2,13(3,4)14)10-15-8-7-11-6-5-9-16-11/h5-6,9,15H,7-8,10,14H2,1-4H3
InChIKeyPIXGSYDBTDHHRH-UHFFFAOYSA-N
XLogP2.18
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-tert-butyl-N-[2-(furan-2-yl)ethyl]ethane-1,2-diamine
CID 79256730
N'-[2-(furan-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 65232705
5-[2-(furan-2-yl)ethylamino]-4,4-dimethylpentanenitrile
CID 115651461
N-[2-(furan-2-yl)ethyl]-2,2-dimethoxyethanamine
CID 63684806
1-N-[2-(furan-2-yl)ethyl]-4-methylpentane-1,2-diamine
CID 61470415
N-[2-(furan-2-yl)ethyl]-2-methylbutane-1,4-diamine
CID 80544345
3,3,3-trifluoro-N-[2-(furan-2-yl)ethyl]propan-1-amine
CID 60695393
1-[2-(furan-2-yl)ethylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 54907244
N-[(4-ethylphenyl)methyl]-2-(furan-2-yl)ethanamine
CID 43395380
N'-[2-(furan-2-yl)ethyl]hexane-1,6-diamine
CID 61470977
1-N-(furan-2-ylmethyl)-3-methylbutane-1,3-diamine
CID 64679315
N-(2-butoxyethyl)-2-(furan-2-yl)ethanamine
CID 61483217

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(furan-2-yl)ethyl]-2,2,3-trimethylbutane-1,3-diamine?
The IUPAC name of 1-N-[2-(furan-2-yl)ethyl]-2,2,3-trimethylbutane-1,3-diamine (CID 65266782) is 1-N-[2-(furan-2-yl)ethyl]-2,2,3-trimethylbutane-1,3-diamine.
What is the SMILES notation for 1-N-[2-(furan-2-yl)ethyl]-2,2,3-trimethylbutane-1,3-diamine?
The canonical SMILES for 1-N-[2-(furan-2-yl)ethyl]-2,2,3-trimethylbutane-1,3-diamine is CC(C)(N)C(C)(C)CNCCc1ccco1.
What is the InChIKey of 1-N-[2-(furan-2-yl)ethyl]-2,2,3-trimethylbutane-1,3-diamine?
The InChIKey is PIXGSYDBTDHHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-12(2,13(3,4)14)10-15-8-7-11-6-5-9-16-11/h5-6,9,15H,7-8,10,14H2,1-4H3.
What are the key properties of 1-N-[2-(furan-2-yl)ethyl]-2,2,3-trimethylbutane-1,3-diamine?
1-N-[2-(furan-2-yl)ethyl]-2,2,3-trimethylbutane-1,3-diamine has a molecular weight of 224.35 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(furan-2-yl)ethyl]-2,2,3-trimethylbutane-1,3-diamine is sourced from PubChem (CID 65266782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).