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

C16H22N2OS — CID 62556371

IUPACN'-cyclopropyl-N'-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
SMILESc1coc(CN(CCNCCc2cccs2)C2CC2)c1
InChIInChI=1S/C16H22N2OS/c1-3-15(19-11-1)13-18(14-5-6-14)10-9-17-8-7-16-4-2-12-20-16/h1-4,11-12,14,17H,5-10,13H2
InChIKeyCWJAEZVASDCOQH-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.14
Rot. Bonds9

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

N'-cyclopropyl-N'-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine (PubChem CID 62556371) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N'-cyclopropyl-N'-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
PubChem CID62556371
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN'-cyclopropyl-N'-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
SMILESc1coc(CN(CCNCCc2cccs2)C2CC2)c1
InChIInChI=1S/C16H22N2OS/c1-3-15(19-11-1)13-18(14-5-6-14)10-9-17-8-7-16-4-2-12-20-16/h1-4,11-12,14,17H,5-10,13H2
InChIKeyCWJAEZVASDCOQH-UHFFFAOYSA-N
XLogP3.14
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.14
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'-cyclopropyl-N'-(cyclopropylmethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 64522871
N-(2-butoxyethyl)-N'-cyclopropyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine
CID 62558803
N-cyclohexyl-N'-cyclopropyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine
CID 62573857
N'-cyclopropyl-N-(3-methoxypropyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62556546
N'-cyclopropyl-N'-(furan-2-ylmethyl)-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 62556893
2-[cyclopropyl(furan-2-ylmethyl)amino]-1-thiophen-2-ylethanone
CID 62029916
2-[2-[cyclopropyl(furan-2-ylmethyl)amino]ethyl]aniline
CID 55079204
N-but-3-ynyl-N-(furan-2-ylmethyl)cyclopropanamine
CID 63657451
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)cyclopropanamine
CID 47023472
N-[(5-chlorothiophen-2-yl)methyl]-N'-cyclopropyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62557593
N'-cyclopropyl-N'-(furan-2-ylmethyl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine
CID 62556721
N'-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62557934

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N'-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine (CID 62556371) is N'-cyclopropyl-N'-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N'-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine is c1coc(CN(CCNCCc2cccs2)C2CC2)c1.
What is the InChIKey of N'-cyclopropyl-N'-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine?
The InChIKey is CWJAEZVASDCOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-3-15(19-11-1)13-18(14-5-6-14)10-9-17-8-7-16-4-2-12-20-16/h1-4,11-12,14,17H,5-10,13H2.
What are the key properties of N'-cyclopropyl-N'-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine?
N'-cyclopropyl-N'-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine has a molecular weight of 290.43 g/mol, XLogP of 3.14, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 62556371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).