1-N-[(5-ethylfuran-2-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine

C14H26N2O — CID 113285437

IUPAC1-N-[(5-ethylfuran-2-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine
SMILESCCc1ccc(CN(C)CCC(N)C(C)C)o1
InChIInChI=1S/C14H26N2O/c1-5-12-6-7-13(17-12)10-16(4)9-8-14(15)11(2)3/h6-7,11,14H,5,8-10,15H2,1-4H3
InChIKeyIZPUMHOSXUYCFS-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.65
Rot. Bonds7

About 1-N-[(5-ethylfuran-2-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine

1-N-[(5-ethylfuran-2-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine (PubChem CID 113285437) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-N-[(5-ethylfuran-2-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine.

Molecular Properties

Compound Name1-N-[(5-ethylfuran-2-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine
PubChem CID113285437
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-N-[(5-ethylfuran-2-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine
SMILESCCc1ccc(CN(C)CCC(N)C(C)C)o1
InChIInChI=1S/C14H26N2O/c1-5-12-6-7-13(17-12)10-16(4)9-8-14(15)11(2)3/h6-7,11,14H,5,8-10,15H2,1-4H3
InChIKeyIZPUMHOSXUYCFS-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[(5-Methyl-2-furanyl)methyl]pyrrolidine
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5-(((2-Aminoethyl)thio)methyl)-N,N-dimethyl-2-furanmethanamine
CID 162203
N-Furfuryl-1-cyclohexanecarboxamide
CID 240161
N-[(5-methyl-2-furyl)methyl]ethanamine
CID 4777647
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CID 3955702

Frequently Asked Questions

What is the IUPAC name of 1-N-[(5-ethylfuran-2-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine?
The IUPAC name of 1-N-[(5-ethylfuran-2-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine (CID 113285437) is 1-N-[(5-ethylfuran-2-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine.
What is the SMILES notation for 1-N-[(5-ethylfuran-2-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine?
The canonical SMILES for 1-N-[(5-ethylfuran-2-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine is CCc1ccc(CN(C)CCC(N)C(C)C)o1.
What is the InChIKey of 1-N-[(5-ethylfuran-2-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine?
The InChIKey is IZPUMHOSXUYCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-5-12-6-7-13(17-12)10-16(4)9-8-14(15)11(2)3/h6-7,11,14H,5,8-10,15H2,1-4H3.
What are the key properties of 1-N-[(5-ethylfuran-2-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine?
1-N-[(5-ethylfuran-2-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine has a molecular weight of 238.37 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(5-ethylfuran-2-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine is sourced from PubChem (CID 113285437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).