N-but-3-ynyl-1-[5-(2-methylcyclopropyl)furan-2-yl]ethane-1,2-diamine

C14H20N2O — CID 116641071

IUPACN-but-3-ynyl-1-[5-(2-methylcyclopropyl)furan-2-yl]ethane-1,2-diamine
SMILESC#CCCNC(CN)c1ccc(C2CC2C)o1
InChIInChI=1S/C14H20N2O/c1-3-4-7-16-12(9-15)14-6-5-13(17-14)11-8-10(11)2/h1,5-6,10-12,16H,4,7-9,15H2,2H3
InChIKeyYGTSTXMILSLLHA-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.02
Rot. Bonds6

About N-but-3-ynyl-1-[5-(2-methylcyclopropyl)furan-2-yl]ethane-1,2-diamine

N-but-3-ynyl-1-[5-(2-methylcyclopropyl)furan-2-yl]ethane-1,2-diamine (PubChem CID 116641071) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-but-3-ynyl-1-[5-(2-methylcyclopropyl)furan-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-but-3-ynyl-1-[5-(2-methylcyclopropyl)furan-2-yl]ethane-1,2-diamine
PubChem CID116641071
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-but-3-ynyl-1-[5-(2-methylcyclopropyl)furan-2-yl]ethane-1,2-diamine
SMILESC#CCCNC(CN)c1ccc(C2CC2C)o1
InChIInChI=1S/C14H20N2O/c1-3-4-7-16-12(9-15)14-6-5-13(17-14)11-8-10(11)2/h1,5-6,10-12,16H,4,7-9,15H2,2H3
InChIKeyYGTSTXMILSLLHA-UHFFFAOYSA-N
XLogP2.02
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-hex-1-yn-3-yl-1-[5-(2-methylcyclopropyl)furan-2-yl]ethane-1,2-diamine
CID 106228042
N-cyclohexyl-1-[5-(2-methylcyclopropyl)furan-2-yl]ethane-1,2-diamine
CID 65383899
2-(3,4-dimethoxypyrrolidin-1-yl)-2-[5-(2-methylcyclopropyl)furan-2-yl]ethanamine
CID 103531861
N-but-3-ynyl-1-(4-chlorophenyl)ethane-1,2-diamine
CID 116641154
3-amino-2,2-dimethyl-1-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-ol
CID 79137878
N-but-3-ynyl-1-(4-phenylphenyl)ethane-1,2-diamine
CID 116641279
N-butyl-N-ethyl-1-[5-(2-methylcyclopropyl)furan-2-yl]ethane-1,2-diamine
CID 43184733
N-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2-methylphenyl)ethane-1,2-diamine
CID 62002247
2,2-difluoro-1-[5-(2-methylcyclopropyl)furan-2-yl]ethanol
CID 80605926
2-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]butan-1-ol
CID 79445931
1-[5-(2-methylcyclopropyl)furan-2-yl]pentan-1-ol
CID 65148004
N-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 43526188

Frequently Asked Questions

What is the IUPAC name of N-but-3-ynyl-1-[5-(2-methylcyclopropyl)furan-2-yl]ethane-1,2-diamine?
The IUPAC name of N-but-3-ynyl-1-[5-(2-methylcyclopropyl)furan-2-yl]ethane-1,2-diamine (CID 116641071) is N-but-3-ynyl-1-[5-(2-methylcyclopropyl)furan-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N-but-3-ynyl-1-[5-(2-methylcyclopropyl)furan-2-yl]ethane-1,2-diamine?
The canonical SMILES for N-but-3-ynyl-1-[5-(2-methylcyclopropyl)furan-2-yl]ethane-1,2-diamine is C#CCCNC(CN)c1ccc(C2CC2C)o1.
What is the InChIKey of N-but-3-ynyl-1-[5-(2-methylcyclopropyl)furan-2-yl]ethane-1,2-diamine?
The InChIKey is YGTSTXMILSLLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-4-7-16-12(9-15)14-6-5-13(17-14)11-8-10(11)2/h1,5-6,10-12,16H,4,7-9,15H2,2H3.
What are the key properties of N-but-3-ynyl-1-[5-(2-methylcyclopropyl)furan-2-yl]ethane-1,2-diamine?
N-but-3-ynyl-1-[5-(2-methylcyclopropyl)furan-2-yl]ethane-1,2-diamine has a molecular weight of 232.33 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-ynyl-1-[5-(2-methylcyclopropyl)furan-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 116641071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).