N,2,2-trimethyl-N-(5-methylfuran-2-yl)butane-1,4-diamine

C12H22N2O — CID 115204362

IUPACN,2,2-trimethyl-N-(5-methylfuran-2-yl)butane-1,4-diamine
SMILESCc1ccc(N(C)CC(C)(C)CCN)o1
InChIInChI=1S/C12H22N2O/c1-10-5-6-11(15-10)14(4)9-12(2,3)7-8-13/h5-6H,7-9,13H2,1-4H3
InChIKeyQKEMTMZNYGWNQR-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.40
Rot. Bonds5

About N,2,2-trimethyl-N-(5-methylfuran-2-yl)butane-1,4-diamine

N,2,2-trimethyl-N-(5-methylfuran-2-yl)butane-1,4-diamine (PubChem CID 115204362) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N,2,2-trimethyl-N-(5-methylfuran-2-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN,2,2-trimethyl-N-(5-methylfuran-2-yl)butane-1,4-diamine
PubChem CID115204362
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN,2,2-trimethyl-N-(5-methylfuran-2-yl)butane-1,4-diamine
SMILESCc1ccc(N(C)CC(C)(C)CCN)o1
InChIInChI=1S/C12H22N2O/c1-10-5-6-11(15-10)14(4)9-12(2,3)7-8-13/h5-6H,7-9,13H2,1-4H3
InChIKeyQKEMTMZNYGWNQR-UHFFFAOYSA-N
XLogP2.40
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethyl-3-piperazin-1-ylpropyl)-N,5-dimethylfuran-2-amine
CID 115255275
N-(2,5-dimethylphenyl)-N,2,2-trimethylbutane-1,4-diamine
CID 115204284
N,N,3,3-tetramethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine
CID 116905767
N-(3,4-difluorophenyl)-N,2,2-trimethylbutane-1,4-diamine
CID 115204315
N-(5-chlorothiophen-2-yl)-N,2,2-trimethylbutane-1,4-diamine
CID 115204304
N-(3-fluorophenyl)-N,2,2-trimethylbutane-1,4-diamine
CID 115204355
N-(2,3-dihydro-1H-inden-5-yl)-N,2,2-trimethylbutane-1,4-diamine
CID 115204299
N,5-dimethyl-N-(piperazin-1-ylmethyl)furan-2-amine
CID 115229932
N-[1-(4-chlorophenyl)ethyl]-N,2,2-trimethylbutane-1,4-diamine
CID 114285473
N-(aminomethyl)-N,2,2-trimethylbutane-1,4-diamine
CID 23568513
N-[(3-aminophenyl)methyl]-N,5-dimethylfuran-2-amine
CID 115211873
N,2,2-trimethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine
CID 116950035

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-(5-methylfuran-2-yl)butane-1,4-diamine?
The IUPAC name of N,2,2-trimethyl-N-(5-methylfuran-2-yl)butane-1,4-diamine (CID 115204362) is N,2,2-trimethyl-N-(5-methylfuran-2-yl)butane-1,4-diamine.
What is the SMILES notation for N,2,2-trimethyl-N-(5-methylfuran-2-yl)butane-1,4-diamine?
The canonical SMILES for N,2,2-trimethyl-N-(5-methylfuran-2-yl)butane-1,4-diamine is Cc1ccc(N(C)CC(C)(C)CCN)o1.
What is the InChIKey of N,2,2-trimethyl-N-(5-methylfuran-2-yl)butane-1,4-diamine?
The InChIKey is QKEMTMZNYGWNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-10-5-6-11(15-10)14(4)9-12(2,3)7-8-13/h5-6H,7-9,13H2,1-4H3.
What are the key properties of N,2,2-trimethyl-N-(5-methylfuran-2-yl)butane-1,4-diamine?
N,2,2-trimethyl-N-(5-methylfuran-2-yl)butane-1,4-diamine has a molecular weight of 210.32 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-(5-methylfuran-2-yl)butane-1,4-diamine is sourced from PubChem (CID 115204362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).