4-amino-N-hex-5-ynyloxane-4-carboxamide

C12H20N2O2 — CID 103950464

IUPAC4-amino-N-hex-5-ynyloxane-4-carboxamide
SMILESC#CCCCCNC(=O)C1(N)CCOCC1
InChIInChI=1S/C12H20N2O2/c1-2-3-4-5-8-14-11(15)12(13)6-9-16-10-7-12/h1H,3-10,13H2,(H,14,15)
InChIKeySSGFVJDFYVDLJA-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.41
Rot. Bonds5

About 4-amino-N-hex-5-ynyloxane-4-carboxamide

4-amino-N-hex-5-ynyloxane-4-carboxamide (PubChem CID 103950464) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-amino-N-hex-5-ynyloxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-hex-5-ynyloxane-4-carboxamide
PubChem CID103950464
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name4-amino-N-hex-5-ynyloxane-4-carboxamide
SMILESC#CCCCCNC(=O)C1(N)CCOCC1
InChIInChI=1S/C12H20N2O2/c1-2-3-4-5-8-14-11(15)12(13)6-9-16-10-7-12/h1H,3-10,13H2,(H,14,15)
InChIKeySSGFVJDFYVDLJA-UHFFFAOYSA-N
XLogP0.41
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.41
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

4-amino-N-but-3-ynyloxane-4-carboxamide
CID 115294969
4-amino-N-butyloxane-4-carboxamide
CID 115293500
7-[(4-aminooxane-4-carbonyl)amino]heptanoic acid
CID 115294507
4-amino-N-(2-hydroxyethyl)oxane-4-carboxamide
CID 115293654
4-amino-N-(2-aminoethyl)oxane-4-carboxamide
CID 115294627
4-amino-N-[2-(carbamoylamino)ethyl]oxane-4-carboxamide
CID 115556917
N-hex-5-ynyl-1-methylcyclohexane-1-carboxamide
CID 105056307
3-amino-N-(5-amino-5-oxopentyl)oxolane-3-carboxamide
CID 106235837
5-[(4-aminooxane-4-carbonyl)amino]-2-methylpentanoic acid
CID 112547775
4-[(4-aminooxane-4-carbonyl)amino]-2,2-dimethylbutanoic acid
CID 114285703
4-amino-N-prop-2-enyloxane-4-carboxamide
CID 115293592
3-amino-N-(2-prop-2-ynylsulfanylethyl)oxolane-3-carboxamide
CID 106427849

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-hex-5-ynyloxane-4-carboxamide?
The IUPAC name of 4-amino-N-hex-5-ynyloxane-4-carboxamide (CID 103950464) is 4-amino-N-hex-5-ynyloxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-hex-5-ynyloxane-4-carboxamide?
The canonical SMILES for 4-amino-N-hex-5-ynyloxane-4-carboxamide is C#CCCCCNC(=O)C1(N)CCOCC1.
What is the InChIKey of 4-amino-N-hex-5-ynyloxane-4-carboxamide?
The InChIKey is SSGFVJDFYVDLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-2-3-4-5-8-14-11(15)12(13)6-9-16-10-7-12/h1H,3-10,13H2,(H,14,15).
What are the key properties of 4-amino-N-hex-5-ynyloxane-4-carboxamide?
4-amino-N-hex-5-ynyloxane-4-carboxamide has a molecular weight of 224.30 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-hex-5-ynyloxane-4-carboxamide is sourced from PubChem (CID 103950464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).