N'-[2-amino-1-(5-ethylfuran-2-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine

C17H33N3O — CID 102992080

IUPACN'-[2-amino-1-(5-ethylfuran-2-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine
SMILESCCc1ccc(C(CN)N(CC)CCCN(CC)CC)o1
InChIInChI=1S/C17H33N3O/c1-5-15-10-11-17(21-15)16(14-18)20(8-4)13-9-12-19(6-2)7-3/h10-11,16H,5-9,12-14,18H2,1-4H3
InChIKeyKMZXCKZNFKGCPD-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.90
Rot. Bonds11

About N'-[2-amino-1-(5-ethylfuran-2-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine

N'-[2-amino-1-(5-ethylfuran-2-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine (PubChem CID 102992080) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is N'-[2-amino-1-(5-ethylfuran-2-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-amino-1-(5-ethylfuran-2-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine
PubChem CID102992080
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC NameN'-[2-amino-1-(5-ethylfuran-2-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine
SMILESCCc1ccc(C(CN)N(CC)CCCN(CC)CC)o1
InChIInChI=1S/C17H33N3O/c1-5-15-10-11-17(21-15)16(14-18)20(8-4)13-9-12-19(6-2)7-3/h10-11,16H,5-9,12-14,18H2,1-4H3
InChIKeyKMZXCKZNFKGCPD-UHFFFAOYSA-N
XLogP2.90
TPSA45.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(5-ethylfuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 55061597
N-ethyl-1-(5-ethylfuran-2-yl)-N-methylethane-1,2-diamine
CID 62346010
N'-[2-amino-1-(6-methyl-3-pyridinyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102992123
1-(5-ethylfuran-2-yl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 63982460
N-butyl-N-ethyl-1-[5-(2-methylcyclopropyl)furan-2-yl]ethane-1,2-diamine
CID 43184733
2-N-[3-(diethylamino)propyl]-2-N-ethyl-3-phenylpropane-1,2-diamine
CID 102992091
1-[5-(aminomethyl)furan-2-yl]-N,N-diethylethanamine
CID 105450223
1-(5-ethylfuran-2-yl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62345660
(1R)-1-(5-ethylfuran-2-yl)ethanamine
CID 55276275
N'-[2-amino-1-(4-bromophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991504
N-ethyl-1-(furan-2-yl)-N-propylethane-1,2-diamine
CID 43268649
N'-[2-amino-1-(3-fluorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991412

Frequently Asked Questions

What is the IUPAC name of N'-[2-amino-1-(5-ethylfuran-2-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine?
The IUPAC name of N'-[2-amino-1-(5-ethylfuran-2-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine (CID 102992080) is N'-[2-amino-1-(5-ethylfuran-2-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-amino-1-(5-ethylfuran-2-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine?
The canonical SMILES for N'-[2-amino-1-(5-ethylfuran-2-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine is CCc1ccc(C(CN)N(CC)CCCN(CC)CC)o1.
What is the InChIKey of N'-[2-amino-1-(5-ethylfuran-2-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine?
The InChIKey is KMZXCKZNFKGCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-5-15-10-11-17(21-15)16(14-18)20(8-4)13-9-12-19(6-2)7-3/h10-11,16H,5-9,12-14,18H2,1-4H3.
What are the key properties of N'-[2-amino-1-(5-ethylfuran-2-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine?
N'-[2-amino-1-(5-ethylfuran-2-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine has a molecular weight of 295.47 g/mol, XLogP of 2.90, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-amino-1-(5-ethylfuran-2-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine is sourced from PubChem (CID 102992080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).