1-N,3-N,2-trimethyl-3-N-[(5-methylfuran-2-yl)methyl]butane-1,3-diamine

C13H24N2O — CID 79408703

IUPAC1-N,3-N,2-trimethyl-3-N-[(5-methylfuran-2-yl)methyl]butane-1,3-diamine
SMILESCNCC(C)C(C)N(C)Cc1ccc(C)o1
InChIInChI=1S/C13H24N2O/c1-10(8-14-4)12(3)15(5)9-13-7-6-11(2)16-13/h6-7,10,12,14H,8-9H2,1-5H3
InChIKeyWBCZIWUUOMIUJD-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.26
Rot. Bonds6

About 1-N,3-N,2-trimethyl-3-N-[(5-methylfuran-2-yl)methyl]butane-1,3-diamine

1-N,3-N,2-trimethyl-3-N-[(5-methylfuran-2-yl)methyl]butane-1,3-diamine (PubChem CID 79408703) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-N,3-N,2-trimethyl-3-N-[(5-methylfuran-2-yl)methyl]butane-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N,2-trimethyl-3-N-[(5-methylfuran-2-yl)methyl]butane-1,3-diamine
PubChem CID79408703
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-N,3-N,2-trimethyl-3-N-[(5-methylfuran-2-yl)methyl]butane-1,3-diamine
SMILESCNCC(C)C(C)N(C)Cc1ccc(C)o1
InChIInChI=1S/C13H24N2O/c1-10(8-14-4)12(3)15(5)9-13-7-6-11(2)16-13/h6-7,10,12,14H,8-9H2,1-5H3
InChIKeyWBCZIWUUOMIUJD-UHFFFAOYSA-N
XLogP2.26
TPSA28.41 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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]pentane-1,4-diamine
CID 62421162
3-N-[(4-methoxyphenyl)methyl]-1-N,3-N,2-trimethylbutane-1,3-diamine
CID 79409048
2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]-1-N-(2-methylpropyl)butane-1,2-diamine
CID 62422455
N,N'-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 43526366
1-N,3-N,2-trimethyl-3-N-[(3-methylphenyl)methyl]butane-1,3-diamine
CID 79414588
3-N-(furan-2-ylmethyl)-3-N,2-dimethyl-1-N-(2-methylpropyl)butane-1,3-diamine
CID 81011655
3-methoxy-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine
CID 103225640
4-[1-[methyl-[(5-methylfuran-2-yl)methyl]amino]ethyl]aniline
CID 61262031
1-N,3-N,2-trimethyl-3-N-(pyridin-2-ylmethyl)butane-1,3-diamine
CID 79408815
1-methyl-1-[(5-methylfuran-2-yl)methyl]-3-(2-methylpropyl)thiourea
CID 115570986
3-[methyl-[(5-methylfuran-2-yl)methyl]amino]pentanoic acid
CID 63067752
3-methyl-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]butan-2-one
CID 79396289

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N,2-trimethyl-3-N-[(5-methylfuran-2-yl)methyl]butane-1,3-diamine?
The IUPAC name of 1-N,3-N,2-trimethyl-3-N-[(5-methylfuran-2-yl)methyl]butane-1,3-diamine (CID 79408703) is 1-N,3-N,2-trimethyl-3-N-[(5-methylfuran-2-yl)methyl]butane-1,3-diamine.
What is the SMILES notation for 1-N,3-N,2-trimethyl-3-N-[(5-methylfuran-2-yl)methyl]butane-1,3-diamine?
The canonical SMILES for 1-N,3-N,2-trimethyl-3-N-[(5-methylfuran-2-yl)methyl]butane-1,3-diamine is CNCC(C)C(C)N(C)Cc1ccc(C)o1.
What is the InChIKey of 1-N,3-N,2-trimethyl-3-N-[(5-methylfuran-2-yl)methyl]butane-1,3-diamine?
The InChIKey is WBCZIWUUOMIUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-10(8-14-4)12(3)15(5)9-13-7-6-11(2)16-13/h6-7,10,12,14H,8-9H2,1-5H3.
What are the key properties of 1-N,3-N,2-trimethyl-3-N-[(5-methylfuran-2-yl)methyl]butane-1,3-diamine?
1-N,3-N,2-trimethyl-3-N-[(5-methylfuran-2-yl)methyl]butane-1,3-diamine has a molecular weight of 224.35 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N,2-trimethyl-3-N-[(5-methylfuran-2-yl)methyl]butane-1,3-diamine is sourced from PubChem (CID 79408703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).