1-N-[1-(furan-2-yl)propyl]-1-N,4-dimethylpentane-1,3-diamine

C14H26N2O — CID 115317299

IUPAC1-N-[1-(furan-2-yl)propyl]-1-N,4-dimethylpentane-1,3-diamine
SMILESCCC(c1ccco1)N(C)CCC(N)C(C)C
InChIInChI=1S/C14H26N2O/c1-5-13(14-7-6-10-17-14)16(4)9-8-12(15)11(2)3/h6-7,10-13H,5,8-9,15H2,1-4H3
InChIKeyUJIPLMYOQBHZBM-UHFFFAOYSA-N
MW238.38 g/mol
LogP3.04
Rot. Bonds7

About 1-N-[1-(furan-2-yl)propyl]-1-N,4-dimethylpentane-1,3-diamine

1-N-[1-(furan-2-yl)propyl]-1-N,4-dimethylpentane-1,3-diamine (PubChem CID 115317299) has the molecular formula C14H26N2O and a molecular weight of 238.38 g/mol. Its IUPAC name is 1-N-[1-(furan-2-yl)propyl]-1-N,4-dimethylpentane-1,3-diamine.

Molecular Properties

Compound Name1-N-[1-(furan-2-yl)propyl]-1-N,4-dimethylpentane-1,3-diamine
PubChem CID115317299
Molecular FormulaC14H26N2O
Molecular Weight238.38 g/mol
Exact Mass238.20
IUPAC Name1-N-[1-(furan-2-yl)propyl]-1-N,4-dimethylpentane-1,3-diamine
SMILESCCC(c1ccco1)N(C)CCC(N)C(C)C
InChIInChI=1S/C14H26N2O/c1-5-13(14-7-6-10-17-14)16(4)9-8-12(15)11(2)3/h6-7,10-13H,5,8-9,15H2,1-4H3
InChIKeyUJIPLMYOQBHZBM-UHFFFAOYSA-N
XLogP3.04
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-dimethyl-1-N-(1-phenylbutyl)pentane-1,3-diamine
CID 115317343
1-N,4-dimethyl-1-N-(1-phenylpropan-2-yl)pentane-1,3-diamine
CID 113285453
2-ethyl-1-(furan-2-yl)-3-methylbutan-1-amine
CID 82408122
(3R)-1-(furan-2-yl)-4-methylpentan-3-amine
CID 94915074
3-[[2-amino-1-(furan-2-yl)butyl]-methylamino]butanenitrile
CID 55174905
1-(furan-2-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 16795656
(1S)-1-(furan-2-yl)propan-1-amine;hydrochloride
CID 11615221
1-(furan-2-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106602720
1-N-heptan-4-yl-1-N,4-dimethylpentane-1,3-diamine
CID 115317385
1-(furan-2-yl)butan-1-amine;hydrochloride
CID 86262899
N-ethyl-1-(furan-2-yl)-N-propylethane-1,2-diamine
CID 43268649
1-N,4-dimethyl-1-N-(5-methylheptan-3-yl)pentane-1,3-diamine
CID 115317309

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(furan-2-yl)propyl]-1-N,4-dimethylpentane-1,3-diamine?
The IUPAC name of 1-N-[1-(furan-2-yl)propyl]-1-N,4-dimethylpentane-1,3-diamine (CID 115317299) is 1-N-[1-(furan-2-yl)propyl]-1-N,4-dimethylpentane-1,3-diamine.
What is the SMILES notation for 1-N-[1-(furan-2-yl)propyl]-1-N,4-dimethylpentane-1,3-diamine?
The canonical SMILES for 1-N-[1-(furan-2-yl)propyl]-1-N,4-dimethylpentane-1,3-diamine is CCC(c1ccco1)N(C)CCC(N)C(C)C.
What is the InChIKey of 1-N-[1-(furan-2-yl)propyl]-1-N,4-dimethylpentane-1,3-diamine?
The InChIKey is UJIPLMYOQBHZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-5-13(14-7-6-10-17-14)16(4)9-8-12(15)11(2)3/h6-7,10-13H,5,8-9,15H2,1-4H3.
What are the key properties of 1-N-[1-(furan-2-yl)propyl]-1-N,4-dimethylpentane-1,3-diamine?
1-N-[1-(furan-2-yl)propyl]-1-N,4-dimethylpentane-1,3-diamine has a molecular weight of 238.38 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(furan-2-yl)propyl]-1-N,4-dimethylpentane-1,3-diamine is sourced from PubChem (CID 115317299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).