N-[(2-ethylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine

C14H26N2O — CID 114103033

IUPACN-[(2-ethylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCCc1occc1CNCCCNCC(C)C
InChIInChI=1S/C14H26N2O/c1-4-14-13(6-9-17-14)11-16-8-5-7-15-10-12(2)3/h6,9,12,15-16H,4-5,7-8,10-11H2,1-3H3
InChIKeyCGUWNZPKYUFVCQ-UHFFFAOYSA-N
MW238.38 g/mol
LogP2.57
Rot. Bonds9

About N-[(2-ethylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine

N-[(2-ethylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine (PubChem CID 114103033) has the molecular formula C14H26N2O and a molecular weight of 238.38 g/mol. Its IUPAC name is N-[(2-ethylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-[(2-ethylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
PubChem CID114103033
Molecular FormulaC14H26N2O
Molecular Weight238.38 g/mol
Exact Mass238.20
IUPAC NameN-[(2-ethylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCCc1occc1CNCCCNCC(C)C
InChIInChI=1S/C14H26N2O/c1-4-14-13(6-9-17-14)11-16-8-5-7-15-10-12(2)3/h6,9,12,15-16H,4-5,7-8,10-11H2,1-3H3
InChIKeyCGUWNZPKYUFVCQ-UHFFFAOYSA-N
XLogP2.57
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,3-dimethyl-N-[[3-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-2-amine
CID 62432117
N-[[2-[(2-ethylimidazol-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 55133657
2-methyl-N-[[2-[2-(2-methylpropoxy)ethoxymethyl]furan-3-yl]methyl]propan-1-amine
CID 106449856
N-[[2-(azocan-1-ylmethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
CID 62417686
N-[[2-(cyclopentyloxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
CID 62445760
2-methyl-N-[[2-(2,2,2-trifluoroethoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 62445215
2-methyl-N-[[2-[(4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine
CID 62451256
2-methyl-N-[(3-methylfuran-2-yl)methyl]propan-1-amine
CID 60985208
N-[[2-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
CID 66225246
N-[[2-(but-2-enoxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
CID 76943491
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 102810436
2-methyl-N-[[3-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62441488

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine?
The IUPAC name of N-[(2-ethylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine (CID 114103033) is N-[(2-ethylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine.
What is the SMILES notation for N-[(2-ethylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine?
The canonical SMILES for N-[(2-ethylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine is CCc1occc1CNCCCNCC(C)C.
What is the InChIKey of N-[(2-ethylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine?
The InChIKey is CGUWNZPKYUFVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-4-14-13(6-9-17-14)11-16-8-5-7-15-10-12(2)3/h6,9,12,15-16H,4-5,7-8,10-11H2,1-3H3.
What are the key properties of N-[(2-ethylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine?
N-[(2-ethylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine has a molecular weight of 238.38 g/mol, XLogP of 2.57, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine is sourced from PubChem (CID 114103033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).