N'-cyclopropyl-N-(furan-3-ylmethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine

C15H20N2OS — CID 62553956

IUPACN'-cyclopropyl-N-(furan-3-ylmethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
SMILESc1cc(CNCCN(Cc2ccsc2)C2CC2)co1
InChIInChI=1S/C15H20N2OS/c1-2-15(1)17(10-14-4-8-19-12-14)6-5-16-9-13-3-7-18-11-13/h3-4,7-8,11-12,15-16H,1-2,5-6,9-10H2
InChIKeyNOJZAMYMBJCACP-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.10
Rot. Bonds8

About N'-cyclopropyl-N-(furan-3-ylmethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine

N'-cyclopropyl-N-(furan-3-ylmethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine (PubChem CID 62553956) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is N'-cyclopropyl-N-(furan-3-ylmethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-(furan-3-ylmethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
PubChem CID62553956
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC NameN'-cyclopropyl-N-(furan-3-ylmethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
SMILESc1cc(CNCCN(Cc2ccsc2)C2CC2)co1
InChIInChI=1S/C15H20N2OS/c1-2-15(1)17(10-14-4-8-19-12-14)6-5-16-9-13-3-7-18-11-13/h3-4,7-8,11-12,15-16H,1-2,5-6,9-10H2
InChIKeyNOJZAMYMBJCACP-UHFFFAOYSA-N
XLogP3.10
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-cyclopropyl-N-(furan-3-ylmethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-cyclopropyl-N-(pyridin-3-ylmethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 62555085
N'-cyclopropyl-N-propan-2-yl-N'-(thiophen-3-ylmethyl)pentane-1,5-diamine
CID 62435574
N-(2-chloroethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61435255
N'-cyclopropyl-N-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 61435554
3-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoic acid
CID 60838165
N-(thiophen-3-ylmethyl)-N',N'-bis[2-(thiophen-3-ylmethylamino)ethyl]ethane-1,2-diamine
CID 100933177
4-[cyclopropyl(thiophen-3-ylmethyl)amino]butan-1-ol
CID 61435347
N-(furan-3-ylmethyl)-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine
CID 62559702
N-[2-(2-aminoethoxy)ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 79479893
N-(furan-3-ylmethyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 62576103
N'-cyclopropyl-N-phenyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62563786
6-[cyclopropyl(thiophen-3-ylmethyl)amino]hexan-1-ol
CID 103737857

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-(furan-3-ylmethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N-(furan-3-ylmethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine (CID 62553956) is N'-cyclopropyl-N-(furan-3-ylmethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N-(furan-3-ylmethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N-(furan-3-ylmethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine is c1cc(CNCCN(Cc2ccsc2)C2CC2)co1.
What is the InChIKey of N'-cyclopropyl-N-(furan-3-ylmethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is NOJZAMYMBJCACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-2-15(1)17(10-14-4-8-19-12-14)6-5-16-9-13-3-7-18-11-13/h3-4,7-8,11-12,15-16H,1-2,5-6,9-10H2.
What are the key properties of N'-cyclopropyl-N-(furan-3-ylmethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine?
N'-cyclopropyl-N-(furan-3-ylmethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 276.40 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-(furan-3-ylmethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 62553956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).