N'-(furan-2-ylmethyl)-N'-methyl-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine

C14H26N2O2 — CID 55089694

IUPACN'-(furan-2-ylmethyl)-N'-methyl-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
SMILESCC(C)OCCCNCCN(C)Cc1ccco1
InChIInChI=1S/C14H26N2O2/c1-13(2)17-11-5-7-15-8-9-16(3)12-14-6-4-10-18-14/h4,6,10,13,15H,5,7-9,11-12H2,1-3H3
InChIKeySTEBXRPQRAMCHC-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.12
Rot. Bonds10

About N'-(furan-2-ylmethyl)-N'-methyl-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine

N'-(furan-2-ylmethyl)-N'-methyl-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine (PubChem CID 55089694) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N'-(furan-2-ylmethyl)-N'-methyl-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(furan-2-ylmethyl)-N'-methyl-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
PubChem CID55089694
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN'-(furan-2-ylmethyl)-N'-methyl-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
SMILESCC(C)OCCCNCCN(C)Cc1ccco1
InChIInChI=1S/C14H26N2O2/c1-13(2)17-11-5-7-15-8-9-16(3)12-14-6-4-10-18-14/h4,6,10,13,15H,5,7-9,11-12H2,1-3H3
InChIKeySTEBXRPQRAMCHC-UHFFFAOYSA-N
XLogP2.12
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-ethyl-N'-(furan-2-ylmethyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
CID 62558417
N-(furan-2-ylmethyl)-3-propan-2-yloxypropan-1-amine
CID 3155080
N'-(furan-2-ylmethyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 60843082
N'-(furan-2-ylmethyl)-N'-methyl-N-(2-methylpropyl)propane-1,3-diamine
CID 62420801
N'-methyl-N-(3-propan-2-yloxypropyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 55090335
2-N-(furan-2-ylmethyl)-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
CID 62569524
N'-methyl-N'-(3-methylbutyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
CID 62557410
N'-methyl-N'-(2-methylsulfonylethyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
CID 79859053
N'-(furan-2-ylmethyl)-N'-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62560949
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine;hydrochloride
CID 3028206
4-[furan-2-ylmethyl(methyl)amino]butanenitrile
CID 43396926
N-(furan-2-ylmethyl)-4-methyl-N-(2-propan-2-yloxyethyl)aniline
CID 86910738

Frequently Asked Questions

What is the IUPAC name of N'-(furan-2-ylmethyl)-N'-methyl-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine?
The IUPAC name of N'-(furan-2-ylmethyl)-N'-methyl-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine (CID 55089694) is N'-(furan-2-ylmethyl)-N'-methyl-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(furan-2-ylmethyl)-N'-methyl-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine?
The canonical SMILES for N'-(furan-2-ylmethyl)-N'-methyl-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine is CC(C)OCCCNCCN(C)Cc1ccco1.
What is the InChIKey of N'-(furan-2-ylmethyl)-N'-methyl-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine?
The InChIKey is STEBXRPQRAMCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-13(2)17-11-5-7-15-8-9-16(3)12-14-6-4-10-18-14/h4,6,10,13,15H,5,7-9,11-12H2,1-3H3.
What are the key properties of N'-(furan-2-ylmethyl)-N'-methyl-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine?
N'-(furan-2-ylmethyl)-N'-methyl-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine has a molecular weight of 254.37 g/mol, XLogP of 2.12, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(furan-2-ylmethyl)-N'-methyl-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine is sourced from PubChem (CID 55089694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).