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

C14H27N3O — CID 62559645

IUPACN',N'-dimethyl-N-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]ethyl]propane-1,3-diamine
SMILESCc1ccc(CN(C)CCNCCCN(C)C)o1
InChIInChI=1S/C14H27N3O/c1-13-6-7-14(18-13)12-17(4)11-9-15-8-5-10-16(2)3/h6-7,15H,5,8-12H2,1-4H3
InChIKeyDEBJLWSANGRWAF-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.56
Rot. Bonds9

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

N',N'-dimethyl-N-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]ethyl]propane-1,3-diamine (PubChem CID 62559645) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N',N'-dimethyl-N-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]ethyl]propane-1,3-diamine
PubChem CID62559645
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN',N'-dimethyl-N-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]ethyl]propane-1,3-diamine
SMILESCc1ccc(CN(C)CCNCCCN(C)C)o1
InChIInChI=1S/C14H27N3O/c1-13-6-7-14(18-13)12-17(4)11-9-15-8-5-10-16(2)3/h6-7,15H,5,8-12H2,1-4H3
InChIKeyDEBJLWSANGRWAF-UHFFFAOYSA-N
XLogP1.56
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 43526366
N'-methyl-N'-[(5-methylfuran-2-yl)methyl]-N-prop-2-ynylethane-1,2-diamine
CID 62559098
N-(cyclohexylmethyl)-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 62560208
N-butan-2-yl-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 60852866
N-cyclohexyl-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 55085461
N-(dicyclopropylmethyl)-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 55089797
N'-[(5-chlorofuran-2-yl)methyl]-N'-methyl-N-propylethane-1,2-diamine
CID 106684730
N-(3-fluorophenyl)-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 62560027
N-(2-aminoethyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
CID 61208466
1-N-methyl-1-N-[(5-methylfuran-2-yl)methyl]hexane-1,5-diamine
CID 82854049
3-azido-N-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine
CID 61396861
4-[methyl-[(5-methylfuran-2-yl)methyl]amino]butanethioamide
CID 43526322

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]ethyl]propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]ethyl]propane-1,3-diamine (CID 62559645) is N',N'-dimethyl-N-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]ethyl]propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]ethyl]propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]ethyl]propane-1,3-diamine is Cc1ccc(CN(C)CCNCCCN(C)C)o1.
What is the InChIKey of N',N'-dimethyl-N-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]ethyl]propane-1,3-diamine?
The InChIKey is DEBJLWSANGRWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-13-6-7-14(18-13)12-17(4)11-9-15-8-5-10-16(2)3/h6-7,15H,5,8-12H2,1-4H3.
What are the key properties of N',N'-dimethyl-N-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]ethyl]propane-1,3-diamine?
N',N'-dimethyl-N-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]ethyl]propane-1,3-diamine has a molecular weight of 253.39 g/mol, XLogP of 1.56, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]ethyl]propane-1,3-diamine is sourced from PubChem (CID 62559645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).