N-(2-butoxyethyl)-N'-cyclopropyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine

C16H28N2O2 — CID 62558803

IUPACN-(2-butoxyethyl)-N'-cyclopropyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine
SMILESCCCCOCCNCCN(Cc1ccco1)C1CC1
InChIInChI=1S/C16H28N2O2/c1-2-3-11-19-13-9-17-8-10-18(15-6-7-15)14-16-5-4-12-20-16/h4-5,12,15,17H,2-3,6-11,13-14H2,1H3
InChIKeyAAQGPNCOEMENNH-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.65
Rot. Bonds12

About N-(2-butoxyethyl)-N'-cyclopropyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine

N-(2-butoxyethyl)-N'-cyclopropyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine (PubChem CID 62558803) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-(2-butoxyethyl)-N'-cyclopropyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-butoxyethyl)-N'-cyclopropyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine
PubChem CID62558803
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-(2-butoxyethyl)-N'-cyclopropyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine
SMILESCCCCOCCNCCN(Cc1ccco1)C1CC1
InChIInChI=1S/C16H28N2O2/c1-2-3-11-19-13-9-17-8-10-18(15-6-7-15)14-16-5-4-12-20-16/h4-5,12,15,17H,2-3,6-11,13-14H2,1H3
InChIKeyAAQGPNCOEMENNH-UHFFFAOYSA-N
XLogP2.65
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.65
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-(2-butoxyethyl)-2-(furan-2-yl)ethanamine
CID 61483217
1-butoxy-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-2-ol
CID 107263830
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)cyclopropanamine
CID 47023472
N'-cyclopropyl-N'-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62556371
N'-cyclopropyl-N'-(furan-2-ylmethyl)-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 62556893
N'-cyclopropyl-N'-(furan-2-ylmethyl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine
CID 62556721
N-cyclohexyl-N'-cyclopropyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine
CID 62573857
N-(6-chlorohexyl)-N-(furan-2-ylmethyl)cyclopropanamine
CID 55053333
N-(furan-2-ylmethyl)-N-[[3-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine
CID 62412040
N-but-3-ynyl-N-(furan-2-ylmethyl)cyclopropanamine
CID 63657451
N-cyclopropyl-N-(furan-2-ylmethyl)-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62411687
N-cyclopropyl-N'-ethyl-N-(furan-2-ylmethyl)-2,2-dimethylpropane-1,3-diamine
CID 62259205

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-N'-cyclopropyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N-(2-butoxyethyl)-N'-cyclopropyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine (CID 62558803) is N-(2-butoxyethyl)-N'-cyclopropyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-butoxyethyl)-N'-cyclopropyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N-(2-butoxyethyl)-N'-cyclopropyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine is CCCCOCCNCCN(Cc1ccco1)C1CC1.
What is the InChIKey of N-(2-butoxyethyl)-N'-cyclopropyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is AAQGPNCOEMENNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-2-3-11-19-13-9-17-8-10-18(15-6-7-15)14-16-5-4-12-20-16/h4-5,12,15,17H,2-3,6-11,13-14H2,1H3.
What are the key properties of N-(2-butoxyethyl)-N'-cyclopropyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine?
N-(2-butoxyethyl)-N'-cyclopropyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 280.41 g/mol, XLogP of 2.65, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-N'-cyclopropyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 62558803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).