4-N-(furan-2-ylmethyl)-1-N,4-N-dimethylpentane-1,4-diamine

C12H22N2O — CID 62420064

IUPAC4-N-(furan-2-ylmethyl)-1-N,4-N-dimethylpentane-1,4-diamine
SMILESCNCCCC(C)N(C)Cc1ccco1
InChIInChI=1S/C12H22N2O/c1-11(6-4-8-13-2)14(3)10-12-7-5-9-15-12/h5,7,9,11,13H,4,6,8,10H2,1-3H3
InChIKeyQKSQROHRMFYJEP-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.10
Rot. Bonds7

About 4-N-(furan-2-ylmethyl)-1-N,4-N-dimethylpentane-1,4-diamine

4-N-(furan-2-ylmethyl)-1-N,4-N-dimethylpentane-1,4-diamine (PubChem CID 62420064) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-N-(furan-2-ylmethyl)-1-N,4-N-dimethylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(furan-2-ylmethyl)-1-N,4-N-dimethylpentane-1,4-diamine
PubChem CID62420064
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name4-N-(furan-2-ylmethyl)-1-N,4-N-dimethylpentane-1,4-diamine
SMILESCNCCCC(C)N(C)Cc1ccco1
InChIInChI=1S/C12H22N2O/c1-11(6-4-8-13-2)14(3)10-12-7-5-9-15-12/h5,7,9,11,13H,4,6,8,10H2,1-3H3
InChIKeyQKSQROHRMFYJEP-UHFFFAOYSA-N
XLogP2.10
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-tert-butyl-4-N-(furan-2-ylmethyl)-4-N-methylpentane-1,4-diamine
CID 62420435
1-N,4-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]pentane-1,4-diamine
CID 62421162
2-N-(furan-2-ylmethyl)-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine
CID 62569525
1-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine
CID 62462960
2-N-(furan-2-ylmethyl)-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
CID 62569524
3-(furan-2-yl)-N-methylpropan-1-amine
CID 2772204
2-[furan-2-ylmethyl(methyl)amino]propanenitrile
CID 60643804
N'-[1-(furan-2-yl)propan-2-yl]-N-methylbutane-1,4-diamine
CID 61470742
N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-N-methylethanamine
CID 50969326
1-N-cyclopentyl-2-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine
CID 62569713
2-N-(furan-2-ylmethyl)-2-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 62421172
N'-(furan-2-ylmethyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 60843082

Frequently Asked Questions

What is the IUPAC name of 4-N-(furan-2-ylmethyl)-1-N,4-N-dimethylpentane-1,4-diamine?
The IUPAC name of 4-N-(furan-2-ylmethyl)-1-N,4-N-dimethylpentane-1,4-diamine (CID 62420064) is 4-N-(furan-2-ylmethyl)-1-N,4-N-dimethylpentane-1,4-diamine.
What is the SMILES notation for 4-N-(furan-2-ylmethyl)-1-N,4-N-dimethylpentane-1,4-diamine?
The canonical SMILES for 4-N-(furan-2-ylmethyl)-1-N,4-N-dimethylpentane-1,4-diamine is CNCCCC(C)N(C)Cc1ccco1.
What is the InChIKey of 4-N-(furan-2-ylmethyl)-1-N,4-N-dimethylpentane-1,4-diamine?
The InChIKey is QKSQROHRMFYJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-11(6-4-8-13-2)14(3)10-12-7-5-9-15-12/h5,7,9,11,13H,4,6,8,10H2,1-3H3.
What are the key properties of 4-N-(furan-2-ylmethyl)-1-N,4-N-dimethylpentane-1,4-diamine?
4-N-(furan-2-ylmethyl)-1-N,4-N-dimethylpentane-1,4-diamine has a molecular weight of 210.32 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(furan-2-ylmethyl)-1-N,4-N-dimethylpentane-1,4-diamine is sourced from PubChem (CID 62420064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).