2-amino-N-hex-5-ynylbutanamide

C10H18N2O — CID 103950447

IUPAC2-amino-N-hex-5-ynylbutanamide
SMILESC#CCCCCNC(=O)C(N)CC
InChIInChI=1S/C10H18N2O/c1-3-5-6-7-8-12-10(13)9(11)4-2/h1,9H,4-8,11H2,2H3,(H,12,13)
InChIKeyOBJCSIFSYGRYED-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.64
Rot. Bonds6

About 2-amino-N-hex-5-ynylbutanamide

2-amino-N-hex-5-ynylbutanamide (PubChem CID 103950447) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-amino-N-hex-5-ynylbutanamide.

Molecular Properties

Compound Name2-amino-N-hex-5-ynylbutanamide
PubChem CID103950447
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-amino-N-hex-5-ynylbutanamide
SMILESC#CCCCCNC(=O)C(N)CC
InChIInChI=1S/C10H18N2O/c1-3-5-6-7-8-12-10(13)9(11)4-2/h1,9H,4-8,11H2,2H3,(H,12,13)
InChIKeyOBJCSIFSYGRYED-UHFFFAOYSA-N
XLogP0.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

(2R)-2-amino-N-hex-5-ynylpentanamide
CID 106213082
3-amino-N-hex-5-ynylpentanamide
CID 106213039
2-amino-N-(3-cyanopropyl)butanamide
CID 62666454
(2R)-2-amino-N-tetradecylbutanamide
CID 158842614
(2R)-2-amino-N-hex-5-ynyl-3,3-dimethylbutanamide
CID 106213078
2-amino-3-cyclohexyl-N-hex-5-ynylpropanamide
CID 114264857
2-bromo-N-hex-5-ynylpropanamide
CID 106211130
(2R)-2-amino-N-pent-3-ynylbutanamide
CID 104891645
2-amino-N-(5-amino-5-oxopentyl)pent-4-ynamide
CID 106235864
1-hex-5-ynyl-3-methylurea
CID 103757181
methyl N-hex-5-ynylcarbamate
CID 103758218
(2S)-2-amino-N-[3-(diethylamino)propyl]butanamide
CID 79025244

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-hex-5-ynylbutanamide?
The IUPAC name of 2-amino-N-hex-5-ynylbutanamide (CID 103950447) is 2-amino-N-hex-5-ynylbutanamide.
What is the SMILES notation for 2-amino-N-hex-5-ynylbutanamide?
The canonical SMILES for 2-amino-N-hex-5-ynylbutanamide is C#CCCCCNC(=O)C(N)CC.
What is the InChIKey of 2-amino-N-hex-5-ynylbutanamide?
The InChIKey is OBJCSIFSYGRYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-5-6-7-8-12-10(13)9(11)4-2/h1,9H,4-8,11H2,2H3,(H,12,13).
What are the key properties of 2-amino-N-hex-5-ynylbutanamide?
2-amino-N-hex-5-ynylbutanamide has a molecular weight of 182.27 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-hex-5-ynylbutanamide is sourced from PubChem (CID 103950447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).