N',2-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-2-propylpropane-1,3-diamine

C14H26N2O — CID 62256958

IUPACN',2-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-2-propylpropane-1,3-diamine
SMILESCCCC(C)(CN)CN(C)Cc1ccc(C)o1
InChIInChI=1S/C14H26N2O/c1-5-8-14(3,10-15)11-16(4)9-13-7-6-12(2)17-13/h6-7H,5,8-11,15H2,1-4H3
InChIKeyMLNGRJNBKRUARB-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.78
Rot. Bonds7

About N',2-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-2-propylpropane-1,3-diamine

N',2-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-2-propylpropane-1,3-diamine (PubChem CID 62256958) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N',2-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-2-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN',2-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-2-propylpropane-1,3-diamine
PubChem CID62256958
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN',2-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-2-propylpropane-1,3-diamine
SMILESCCCC(C)(CN)CN(C)Cc1ccc(C)o1
InChIInChI=1S/C14H26N2O/c1-5-8-14(3,10-15)11-16(4)9-13-7-6-12(2)17-13/h6-7H,5,8-11,15H2,1-4H3
InChIKeyMLNGRJNBKRUARB-UHFFFAOYSA-N
XLogP2.78
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N',2-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-2-propylpropane-1,3-diamine
CID 62255914
2-methyl-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-ol
CID 60886966
1-N,2,2,3-tetramethyl-1-N-[(5-methylfuran-2-yl)methyl]butane-1,3-diamine
CID 65266928
N-tert-butyl-2-ethyl-N',2-dimethyl-N'-[(5-methylfuran-2-yl)methyl]propane-1,3-diamine
CID 62255918
1-N,2,2-trimethyl-1-N-[(5-methylfuran-2-yl)methyl]-3-N-propylbutane-1,3-diamine
CID 66455352
N'-[(2-fluorophenyl)methyl]-N',2-dimethyl-2-propylpropane-1,3-diamine
CID 62260499
N'-[(4-bromothiophen-2-yl)methyl]-N',2-dimethyl-2-propylpropane-1,3-diamine
CID 62259572
N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-piperazin-1-ylpropan-1-amine
CID 80551355
1-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopropan-1-amine
CID 65458193
2,2-diethyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine
CID 62257493
2-benzyl-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]butane-1,2-diamine
CID 79008717
N,N',2-trimethyl-N'-[(5-methylfuran-2-yl)methyl]-2-phenylpropane-1,3-diamine
CID 62258012

Frequently Asked Questions

What is the IUPAC name of N',2-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-2-propylpropane-1,3-diamine?
The IUPAC name of N',2-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-2-propylpropane-1,3-diamine (CID 62256958) is N',2-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-2-propylpropane-1,3-diamine.
What is the SMILES notation for N',2-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-2-propylpropane-1,3-diamine?
The canonical SMILES for N',2-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-2-propylpropane-1,3-diamine is CCCC(C)(CN)CN(C)Cc1ccc(C)o1.
What is the InChIKey of N',2-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-2-propylpropane-1,3-diamine?
The InChIKey is MLNGRJNBKRUARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-5-8-14(3,10-15)11-16(4)9-13-7-6-12(2)17-13/h6-7H,5,8-11,15H2,1-4H3.
What are the key properties of N',2-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-2-propylpropane-1,3-diamine?
N',2-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-2-propylpropane-1,3-diamine has a molecular weight of 238.37 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-2-propylpropane-1,3-diamine is sourced from PubChem (CID 62256958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).