N-methyl-1-(5-methylfuran-2-yl)-2-propan-2-ylpropane-1,3-diamine

C12H22N2O — CID 116960297

IUPACN-methyl-1-(5-methylfuran-2-yl)-2-propan-2-ylpropane-1,3-diamine
SMILESCNC(c1ccc(C)o1)C(CN)C(C)C
InChIInChI=1S/C12H22N2O/c1-8(2)10(7-13)12(14-4)11-6-5-9(3)15-11/h5-6,8,10,12,14H,7,13H2,1-4H3
InChIKeyNDUBOMSNLAQORS-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.08
Rot. Bonds5

About N-methyl-1-(5-methylfuran-2-yl)-2-propan-2-ylpropane-1,3-diamine

N-methyl-1-(5-methylfuran-2-yl)-2-propan-2-ylpropane-1,3-diamine (PubChem CID 116960297) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-methyl-1-(5-methylfuran-2-yl)-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-methyl-1-(5-methylfuran-2-yl)-2-propan-2-ylpropane-1,3-diamine
PubChem CID116960297
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-methyl-1-(5-methylfuran-2-yl)-2-propan-2-ylpropane-1,3-diamine
SMILESCNC(c1ccc(C)o1)C(CN)C(C)C
InChIInChI=1S/C12H22N2O/c1-8(2)10(7-13)12(14-4)11-6-5-9(3)15-11/h5-6,8,10,12,14H,7,13H2,1-4H3
InChIKeyNDUBOMSNLAQORS-UHFFFAOYSA-N
XLogP2.08
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-dimethyl-1-(5-methylfuran-2-yl)-2-propan-2-ylpropane-1,3-diamine
CID 116960370
2-amino-3-(methylamino)-3-(5-methylfuran-2-yl)propan-1-ol
CID 116957574
1-(3,4-dimethylphenyl)-N-methyl-2-propan-2-ylpropane-1,3-diamine
CID 116960219
N-methyl-2-propan-2-yl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine
CID 116960302
2-ethyl-N,N'-dimethyl-1-(5-methylfuran-2-yl)propane-1,3-diamine
CID 116960840
N-methyl-1-(4-methylsulfanylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 116960272
2-methyl-5-[(2S)-3-methylbutan-2-yl]furan
CID 59302907
N-methyl-1-naphthalen-1-yl-2-propan-2-ylpropane-1,3-diamine
CID 116960307
N-methyl-2-propan-2-yl-1-pyridin-2-ylpropane-1,3-diamine
CID 116960292
1-(3-fluorophenyl)-N-methyl-2-propan-2-ylpropane-1,3-diamine
CID 116960290
N,2,2-trimethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine
CID 116950035
2-methyl-1-(5-methylfuran-2-yl)propan-1-amine;hydrochloride
CID 86263157

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methylfuran-2-yl)-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N-methyl-1-(5-methylfuran-2-yl)-2-propan-2-ylpropane-1,3-diamine (CID 116960297) is N-methyl-1-(5-methylfuran-2-yl)-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-methyl-1-(5-methylfuran-2-yl)-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N-methyl-1-(5-methylfuran-2-yl)-2-propan-2-ylpropane-1,3-diamine is CNC(c1ccc(C)o1)C(CN)C(C)C.
What is the InChIKey of N-methyl-1-(5-methylfuran-2-yl)-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is NDUBOMSNLAQORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-8(2)10(7-13)12(14-4)11-6-5-9(3)15-11/h5-6,8,10,12,14H,7,13H2,1-4H3.
What are the key properties of N-methyl-1-(5-methylfuran-2-yl)-2-propan-2-ylpropane-1,3-diamine?
N-methyl-1-(5-methylfuran-2-yl)-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 210.32 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methylfuran-2-yl)-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 116960297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).