2-amino-N-(2-methoxypropyl)pent-4-ynamide

C9H16N2O2 — CID 102694961

IUPAC2-amino-N-(2-methoxypropyl)pent-4-ynamide
SMILESC#CCC(N)C(=O)NCC(C)OC
InChIInChI=1S/C9H16N2O2/c1-4-5-8(10)9(12)11-6-7(2)13-3/h1,7-8H,5-6,10H2,2-3H3,(H,11,12)
InChIKeyWXXHCVBSNYUADR-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.51
Rot. Bonds5

About 2-amino-N-(2-methoxypropyl)pent-4-ynamide

2-amino-N-(2-methoxypropyl)pent-4-ynamide (PubChem CID 102694961) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-amino-N-(2-methoxypropyl)pent-4-ynamide.

Molecular Properties

Compound Name2-amino-N-(2-methoxypropyl)pent-4-ynamide
PubChem CID102694961
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name2-amino-N-(2-methoxypropyl)pent-4-ynamide
SMILESC#CCC(N)C(=O)NCC(C)OC
InChIInChI=1S/C9H16N2O2/c1-4-5-8(10)9(12)11-6-7(2)13-3/h1,7-8H,5-6,10H2,2-3H3,(H,11,12)
InChIKeyWXXHCVBSNYUADR-UHFFFAOYSA-N
XLogP-0.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(2-aminopent-4-ynoylamino)propanoate
CID 115563198
2-amino-4-methoxy-N-(2-methoxypropyl)butanamide
CID 102695104
(2S)-2-amino-N-propylpent-4-ynamide
CID 82668022
2-amino-N-(2-methoxypropyl)-4-methylsulfonylbutanamide
CID 102694855
3-amino-N-(2-methoxypropyl)butanamide
CID 102695030
2-amino-N-[2-(2-hydroxyethoxy)ethyl]pent-4-ynamide
CID 115563193
N-(2-methoxypropyl)-2-sulfanylpropanamide
CID 107036659
2-amino-N-(5-amino-5-oxopentyl)pent-4-ynamide
CID 106235864
N-(2-methoxypropyl)acetamide
CID 90876780
2-(2-aminopent-4-ynoylamino)-5-methoxy-5-oxopentanoic acid
CID 82786912
4-amino-N-(2-methoxypropyl)pentanamide
CID 102694842
2-carbamothioyl-N-(2-methoxypropyl)butanamide
CID 102698233

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methoxypropyl)pent-4-ynamide?
The IUPAC name of 2-amino-N-(2-methoxypropyl)pent-4-ynamide (CID 102694961) is 2-amino-N-(2-methoxypropyl)pent-4-ynamide.
What is the SMILES notation for 2-amino-N-(2-methoxypropyl)pent-4-ynamide?
The canonical SMILES for 2-amino-N-(2-methoxypropyl)pent-4-ynamide is C#CCC(N)C(=O)NCC(C)OC.
What is the InChIKey of 2-amino-N-(2-methoxypropyl)pent-4-ynamide?
The InChIKey is WXXHCVBSNYUADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-4-5-8(10)9(12)11-6-7(2)13-3/h1,7-8H,5-6,10H2,2-3H3,(H,11,12).
What are the key properties of 2-amino-N-(2-methoxypropyl)pent-4-ynamide?
2-amino-N-(2-methoxypropyl)pent-4-ynamide has a molecular weight of 184.24 g/mol, XLogP of -0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methoxypropyl)pent-4-ynamide is sourced from PubChem (CID 102694961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).