1-N,4-dimethyl-1-N-[(2-methylfuran-3-yl)methyl]pentane-1,2-diamine

C13H24N2O — CID 61424459

IUPAC1-N,4-dimethyl-1-N-[(2-methylfuran-3-yl)methyl]pentane-1,2-diamine
SMILESCc1occc1CN(C)CC(N)CC(C)C
InChIInChI=1S/C13H24N2O/c1-10(2)7-13(14)9-15(4)8-12-5-6-16-11(12)3/h5-6,10,13H,7-9,14H2,1-4H3
InChIKeyZZIHJNUPSJMIIX-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.39
Rot. Bonds6

About 1-N,4-dimethyl-1-N-[(2-methylfuran-3-yl)methyl]pentane-1,2-diamine

1-N,4-dimethyl-1-N-[(2-methylfuran-3-yl)methyl]pentane-1,2-diamine (PubChem CID 61424459) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-N,4-dimethyl-1-N-[(2-methylfuran-3-yl)methyl]pentane-1,2-diamine.

Molecular Properties

Compound Name1-N,4-dimethyl-1-N-[(2-methylfuran-3-yl)methyl]pentane-1,2-diamine
PubChem CID61424459
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-N,4-dimethyl-1-N-[(2-methylfuran-3-yl)methyl]pentane-1,2-diamine
SMILESCc1occc1CN(C)CC(N)CC(C)C
InChIInChI=1S/C13H24N2O/c1-10(2)7-13(14)9-15(4)8-12-5-6-16-11(12)3/h5-6,10,13H,7-9,14H2,1-4H3
InChIKeyZZIHJNUPSJMIIX-UHFFFAOYSA-N
XLogP2.39
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 62412884
1-[methyl-[(2-methylfuran-3-yl)methyl]amino]-3-(2-methylpropylamino)propan-2-ol
CID 113317475
N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine
CID 115287748
1-N-[(2-chlorophenyl)methyl]-1-N,4-dimethylpentane-1,2-diamine
CID 61416822
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-phenylethanol
CID 61371435
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide
CID 61370638
2-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]propanamide
CID 61426214
3,3,3-trifluoro-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]propanethioamide
CID 103368587
N-methyl-N-[(2-methylfuran-3-yl)methyl]hydroxylamine
CID 96732982
[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]phenyl]methanamine
CID 61426662
4-[1-hydroxy-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]benzenecarbothioamide
CID 61426534
1-(2,6-difluorophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethanol
CID 110903423

Frequently Asked Questions

What is the IUPAC name of 1-N,4-dimethyl-1-N-[(2-methylfuran-3-yl)methyl]pentane-1,2-diamine?
The IUPAC name of 1-N,4-dimethyl-1-N-[(2-methylfuran-3-yl)methyl]pentane-1,2-diamine (CID 61424459) is 1-N,4-dimethyl-1-N-[(2-methylfuran-3-yl)methyl]pentane-1,2-diamine.
What is the SMILES notation for 1-N,4-dimethyl-1-N-[(2-methylfuran-3-yl)methyl]pentane-1,2-diamine?
The canonical SMILES for 1-N,4-dimethyl-1-N-[(2-methylfuran-3-yl)methyl]pentane-1,2-diamine is Cc1occc1CN(C)CC(N)CC(C)C.
What is the InChIKey of 1-N,4-dimethyl-1-N-[(2-methylfuran-3-yl)methyl]pentane-1,2-diamine?
The InChIKey is ZZIHJNUPSJMIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-10(2)7-13(14)9-15(4)8-12-5-6-16-11(12)3/h5-6,10,13H,7-9,14H2,1-4H3.
What are the key properties of 1-N,4-dimethyl-1-N-[(2-methylfuran-3-yl)methyl]pentane-1,2-diamine?
1-N,4-dimethyl-1-N-[(2-methylfuran-3-yl)methyl]pentane-1,2-diamine has a molecular weight of 224.35 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-dimethyl-1-N-[(2-methylfuran-3-yl)methyl]pentane-1,2-diamine is sourced from PubChem (CID 61424459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).