N'-cyclopropyl-N'-ethyl-N-[1-(furan-3-yl)ethyl]ethane-1,2-diamine

C13H22N2O — CID 115716023

IUPACN'-cyclopropyl-N'-ethyl-N-[1-(furan-3-yl)ethyl]ethane-1,2-diamine
SMILESCCN(CCNC(C)c1ccoc1)C1CC1
InChIInChI=1S/C13H22N2O/c1-3-15(13-4-5-13)8-7-14-11(2)12-6-9-16-10-12/h6,9-11,13-14H,3-5,7-8H2,1-2H3
InChIKeySKQNBXVRWUCMBQ-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.41
Rot. Bonds7

About N'-cyclopropyl-N'-ethyl-N-[1-(furan-3-yl)ethyl]ethane-1,2-diamine

N'-cyclopropyl-N'-ethyl-N-[1-(furan-3-yl)ethyl]ethane-1,2-diamine (PubChem CID 115716023) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N'-cyclopropyl-N'-ethyl-N-[1-(furan-3-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-ethyl-N-[1-(furan-3-yl)ethyl]ethane-1,2-diamine
PubChem CID115716023
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN'-cyclopropyl-N'-ethyl-N-[1-(furan-3-yl)ethyl]ethane-1,2-diamine
SMILESCCN(CCNC(C)c1ccoc1)C1CC1
InChIInChI=1S/C13H22N2O/c1-3-15(13-4-5-13)8-7-14-11(2)12-6-9-16-10-12/h6,9-11,13-14H,3-5,7-8H2,1-2H3
InChIKeySKQNBXVRWUCMBQ-UHFFFAOYSA-N
XLogP2.41
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine
CID 113261023
N'-cyclopropyl-N'-ethyl-N-[1-(3-fluorophenyl)ethyl]ethane-1,2-diamine
CID 103780486
N'-cyclopropyl-N-[1-(3,4-dimethoxyphenyl)ethyl]-N'-ethylethane-1,2-diamine
CID 103716850
1-cyclopropyl-N'-[1-(furan-3-yl)ethyl]-N,N-dimethylethane-1,2-diamine
CID 115710253
N'-cyclopropyl-N'-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 103780414
3-[1-[2-[cyclopropyl(ethyl)amino]ethylamino]ethyl]benzenesulfonamide
CID 103910598
N'-cyclopropyl-N'-ethyl-N-propan-2-ylpropane-1,3-diamine
CID 60852013
2-[1-[2-[cyclopropyl(ethyl)amino]ethylamino]ethyl]-4-methylphenol
CID 104582175
N'-cyclopropyl-N'-ethyl-N-(1-phenylbutyl)ethane-1,2-diamine
CID 103780383
N'-cyclopropyl-N-[cyclopropyl-(4-methylphenyl)methyl]-N'-ethylethane-1,2-diamine
CID 103910587
N'-cyclopropyl-N'-ethyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine
CID 62560903
tert-butyl N-[2-[1-(furan-3-yl)ethylamino]ethyl]-N-methylcarbamate
CID 103780651

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-ethyl-N-[1-(furan-3-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N'-ethyl-N-[1-(furan-3-yl)ethyl]ethane-1,2-diamine (CID 115716023) is N'-cyclopropyl-N'-ethyl-N-[1-(furan-3-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-ethyl-N-[1-(furan-3-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N'-ethyl-N-[1-(furan-3-yl)ethyl]ethane-1,2-diamine is CCN(CCNC(C)c1ccoc1)C1CC1.
What is the InChIKey of N'-cyclopropyl-N'-ethyl-N-[1-(furan-3-yl)ethyl]ethane-1,2-diamine?
The InChIKey is SKQNBXVRWUCMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-15(13-4-5-13)8-7-14-11(2)12-6-9-16-10-12/h6,9-11,13-14H,3-5,7-8H2,1-2H3.
What are the key properties of N'-cyclopropyl-N'-ethyl-N-[1-(furan-3-yl)ethyl]ethane-1,2-diamine?
N'-cyclopropyl-N'-ethyl-N-[1-(furan-3-yl)ethyl]ethane-1,2-diamine has a molecular weight of 222.33 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-ethyl-N-[1-(furan-3-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 115716023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).