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

C16H24N2O — CID 106228042

IUPACN-hex-1-yn-3-yl-1-[5-(2-methylcyclopropyl)furan-2-yl]ethane-1,2-diamine
SMILESC#CC(CCC)NC(CN)c1ccc(C2CC2C)o1
InChIInChI=1S/C16H24N2O/c1-4-6-12(5-2)18-14(10-17)16-8-7-15(19-16)13-9-11(13)3/h2,7-8,11-14,18H,4,6,9-10,17H2,1,3H3
InChIKeyJCHRZQOKUZEEKN-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.79
Rot. Bonds7

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

N-hex-1-yn-3-yl-1-[5-(2-methylcyclopropyl)furan-2-yl]ethane-1,2-diamine (PubChem CID 106228042) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-hex-1-yn-3-yl-1-[5-(2-methylcyclopropyl)furan-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-hex-1-yn-3-yl-1-[5-(2-methylcyclopropyl)furan-2-yl]ethane-1,2-diamine
PubChem CID106228042
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-hex-1-yn-3-yl-1-[5-(2-methylcyclopropyl)furan-2-yl]ethane-1,2-diamine
SMILESC#CC(CCC)NC(CN)c1ccc(C2CC2C)o1
InChIInChI=1S/C16H24N2O/c1-4-6-12(5-2)18-14(10-17)16-8-7-15(19-16)13-9-11(13)3/h2,7-8,11-14,18H,4,6,9-10,17H2,1,3H3
InChIKeyJCHRZQOKUZEEKN-UHFFFAOYSA-N
XLogP2.79
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hex-1-yn-3-yl-1-[5-(2-methylcyclopropyl)furan-2-yl]ethane-1,2-diamine?
The IUPAC name of N-hex-1-yn-3-yl-1-[5-(2-methylcyclopropyl)furan-2-yl]ethane-1,2-diamine (CID 106228042) is N-hex-1-yn-3-yl-1-[5-(2-methylcyclopropyl)furan-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N-hex-1-yn-3-yl-1-[5-(2-methylcyclopropyl)furan-2-yl]ethane-1,2-diamine?
The canonical SMILES for N-hex-1-yn-3-yl-1-[5-(2-methylcyclopropyl)furan-2-yl]ethane-1,2-diamine is C#CC(CCC)NC(CN)c1ccc(C2CC2C)o1.
What is the InChIKey of N-hex-1-yn-3-yl-1-[5-(2-methylcyclopropyl)furan-2-yl]ethane-1,2-diamine?
The InChIKey is JCHRZQOKUZEEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-6-12(5-2)18-14(10-17)16-8-7-15(19-16)13-9-11(13)3/h2,7-8,11-14,18H,4,6,9-10,17H2,1,3H3.
What are the key properties of N-hex-1-yn-3-yl-1-[5-(2-methylcyclopropyl)furan-2-yl]ethane-1,2-diamine?
N-hex-1-yn-3-yl-1-[5-(2-methylcyclopropyl)furan-2-yl]ethane-1,2-diamine has a molecular weight of 260.38 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-1-yn-3-yl-1-[5-(2-methylcyclopropyl)furan-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 106228042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).