2-N-[4-(furan-2-yl)butan-2-yl]-1-N,1-N,3-trimethylbutane-1,2-diamine

C15H28N2O — CID 54953465

IUPAC2-N-[4-(furan-2-yl)butan-2-yl]-1-N,1-N,3-trimethylbutane-1,2-diamine
SMILESCC(CCc1ccco1)NC(CN(C)C)C(C)C
InChIInChI=1S/C15H28N2O/c1-12(2)15(11-17(4)5)16-13(3)8-9-14-7-6-10-18-14/h6-7,10,12-13,15-16H,8-9,11H2,1-5H3
InChIKeyQBLOILXRCUJEFH-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.78
Rot. Bonds8

About 2-N-[4-(furan-2-yl)butan-2-yl]-1-N,1-N,3-trimethylbutane-1,2-diamine

2-N-[4-(furan-2-yl)butan-2-yl]-1-N,1-N,3-trimethylbutane-1,2-diamine (PubChem CID 54953465) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-N-[4-(furan-2-yl)butan-2-yl]-1-N,1-N,3-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-[4-(furan-2-yl)butan-2-yl]-1-N,1-N,3-trimethylbutane-1,2-diamine
PubChem CID54953465
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name2-N-[4-(furan-2-yl)butan-2-yl]-1-N,1-N,3-trimethylbutane-1,2-diamine
SMILESCC(CCc1ccco1)NC(CN(C)C)C(C)C
InChIInChI=1S/C15H28N2O/c1-12(2)15(11-17(4)5)16-13(3)8-9-14-7-6-10-18-14/h6-7,10,12-13,15-16H,8-9,11H2,1-5H3
InChIKeyQBLOILXRCUJEFH-UHFFFAOYSA-N
XLogP2.78
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-[4-(furan-2-yl)butan-2-yl]-1-N,1-N,3-trimethylbutane-1,2-diamine with MolForge

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Related Compounds

N-[4-(furan-2-yl)butan-2-yl]-2-methyl-1-phenylpropan-1-amine
CID 43685449
3-ethyl-N-[4-(furan-2-yl)butan-2-yl]pentan-2-amine
CID 63842275
4-(furan-2-yl)-N-(1-phenylethyl)butan-2-amine
CID 43182410
tert-butyl N-[2-[4-(furan-2-yl)butan-2-ylamino]-3-methylbutyl]carbamate
CID 107254289
2-N-[furan-2-yl(phenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61477090
2-[4-(furan-2-yl)butan-2-ylamino]-N'-hydroxypropanimidamide
CID 77030711
4-(furan-2-yl)-N-[(1R)-1-(4-methylphenyl)ethyl]butan-2-amine
CID 81349155
4-(furan-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]butan-2-amine
CID 81349893
N-[(2R)-4-(furan-2-yl)butan-2-yl]-3-methylbutanamide
CID 94153264
N-(4-ethylsulfanylbutan-2-yl)-4-(furan-2-yl)butan-2-amine
CID 115725476
N-but-2-ynyl-4-(furan-2-yl)butan-2-amine
CID 62311547
4-(furan-2-yl)-N-[(1S)-1-(2-methylphenyl)ethyl]butan-2-amine
CID 81374293

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(furan-2-yl)butan-2-yl]-1-N,1-N,3-trimethylbutane-1,2-diamine?
The IUPAC name of 2-N-[4-(furan-2-yl)butan-2-yl]-1-N,1-N,3-trimethylbutane-1,2-diamine (CID 54953465) is 2-N-[4-(furan-2-yl)butan-2-yl]-1-N,1-N,3-trimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-[4-(furan-2-yl)butan-2-yl]-1-N,1-N,3-trimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-[4-(furan-2-yl)butan-2-yl]-1-N,1-N,3-trimethylbutane-1,2-diamine is CC(CCc1ccco1)NC(CN(C)C)C(C)C.
What is the InChIKey of 2-N-[4-(furan-2-yl)butan-2-yl]-1-N,1-N,3-trimethylbutane-1,2-diamine?
The InChIKey is QBLOILXRCUJEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-12(2)15(11-17(4)5)16-13(3)8-9-14-7-6-10-18-14/h6-7,10,12-13,15-16H,8-9,11H2,1-5H3.
What are the key properties of 2-N-[4-(furan-2-yl)butan-2-yl]-1-N,1-N,3-trimethylbutane-1,2-diamine?
2-N-[4-(furan-2-yl)butan-2-yl]-1-N,1-N,3-trimethylbutane-1,2-diamine has a molecular weight of 252.40 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(furan-2-yl)butan-2-yl]-1-N,1-N,3-trimethylbutane-1,2-diamine is sourced from PubChem (CID 54953465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).