3-N-ethyl-3-N-(furan-2-ylmethyl)-1-N-propylbutane-1,3-diamine

C14H26N2O — CID 62461756

IUPAC3-N-ethyl-3-N-(furan-2-ylmethyl)-1-N-propylbutane-1,3-diamine
SMILESCCCNCCC(C)N(CC)Cc1ccco1
InChIInChI=1S/C14H26N2O/c1-4-9-15-10-8-13(3)16(5-2)12-14-7-6-11-17-14/h6-7,11,13,15H,4-5,8-10,12H2,1-3H3
InChIKeyUWELCAVALRRJEJ-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.88
Rot. Bonds9

About 3-N-ethyl-3-N-(furan-2-ylmethyl)-1-N-propylbutane-1,3-diamine

3-N-ethyl-3-N-(furan-2-ylmethyl)-1-N-propylbutane-1,3-diamine (PubChem CID 62461756) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 3-N-ethyl-3-N-(furan-2-ylmethyl)-1-N-propylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-ethyl-3-N-(furan-2-ylmethyl)-1-N-propylbutane-1,3-diamine
PubChem CID62461756
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name3-N-ethyl-3-N-(furan-2-ylmethyl)-1-N-propylbutane-1,3-diamine
SMILESCCCNCCC(C)N(CC)Cc1ccco1
InChIInChI=1S/C14H26N2O/c1-4-9-15-10-8-13(3)16(5-2)12-14-7-6-11-17-14/h6-7,11,13,15H,4-5,8-10,12H2,1-3H3
InChIKeyUWELCAVALRRJEJ-UHFFFAOYSA-N
XLogP2.88
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.88
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

2-N-ethyl-2-N-(furan-2-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62569627
4-[1-[ethyl(furan-2-ylmethyl)amino]ethyl]aniline
CID 61423197
2-N-(furan-2-ylmethyl)-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine
CID 62569525
2-N,2-N-bis(furan-2-ylmethyl)propane-1,2-diamine
CID 174709691
4-N-ethyl-1-N-propyl-4-N-(thiophen-2-ylmethyl)pentane-1,4-diamine
CID 62462942
2-N-ethyl-2-N-(furan-2-ylmethyl)-4-methylpentane-1,2-diamine
CID 61423061
N'-butan-2-yl-N'-ethyl-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 62559419
2-N-benzyl-2-N-ethyl-1-N-(furan-2-ylmethyl)propane-1,2-diamine
CID 62556964
N'-ethyl-N'-(furan-2-ylmethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 62463343
N-(furan-2-ylmethyl)-N-methyl-2-(propylaminomethyl)cyclobutan-1-amine
CID 80998378
2-[ethyl(furan-2-ylmethyl)amino]butanehydrazide
CID 63579097
4-N-(furan-2-ylmethyl)-1-N,4-N-dimethylpentane-1,4-diamine
CID 62420064

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-3-N-(furan-2-ylmethyl)-1-N-propylbutane-1,3-diamine?
The IUPAC name of 3-N-ethyl-3-N-(furan-2-ylmethyl)-1-N-propylbutane-1,3-diamine (CID 62461756) is 3-N-ethyl-3-N-(furan-2-ylmethyl)-1-N-propylbutane-1,3-diamine.
What is the SMILES notation for 3-N-ethyl-3-N-(furan-2-ylmethyl)-1-N-propylbutane-1,3-diamine?
The canonical SMILES for 3-N-ethyl-3-N-(furan-2-ylmethyl)-1-N-propylbutane-1,3-diamine is CCCNCCC(C)N(CC)Cc1ccco1.
What is the InChIKey of 3-N-ethyl-3-N-(furan-2-ylmethyl)-1-N-propylbutane-1,3-diamine?
The InChIKey is UWELCAVALRRJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-4-9-15-10-8-13(3)16(5-2)12-14-7-6-11-17-14/h6-7,11,13,15H,4-5,8-10,12H2,1-3H3.
What are the key properties of 3-N-ethyl-3-N-(furan-2-ylmethyl)-1-N-propylbutane-1,3-diamine?
3-N-ethyl-3-N-(furan-2-ylmethyl)-1-N-propylbutane-1,3-diamine has a molecular weight of 238.37 g/mol, XLogP of 2.88, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-3-N-(furan-2-ylmethyl)-1-N-propylbutane-1,3-diamine is sourced from PubChem (CID 62461756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).