4-methyl-N-[2-(1-methylazepan-4-yl)ethyl]pent-2-ynamide

C15H26N2O — CID 146386684

IUPAC4-methyl-N-[2-(1-methylazepan-4-yl)ethyl]pent-2-ynamide
SMILESCC(C)C#CC(=O)NCCC1CCCN(C)CC1
InChIInChI=1S/C15H26N2O/c1-13(2)6-7-15(18)16-10-8-14-5-4-11-17(3)12-9-14/h13-14H,4-5,8-12H2,1-3H3,(H,16,18)
InChIKeyARZPAIUOOCHOGI-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.88
Rot. Bonds3

About 4-methyl-N-[2-(1-methylazepan-4-yl)ethyl]pent-2-ynamide

4-methyl-N-[2-(1-methylazepan-4-yl)ethyl]pent-2-ynamide (PubChem CID 146386684) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-methyl-N-[2-(1-methylazepan-4-yl)ethyl]pent-2-ynamide.

Molecular Properties

Compound Name4-methyl-N-[2-(1-methylazepan-4-yl)ethyl]pent-2-ynamide
PubChem CID146386684
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name4-methyl-N-[2-(1-methylazepan-4-yl)ethyl]pent-2-ynamide
SMILESCC(C)C#CC(=O)NCCC1CCCN(C)CC1
InChIInChI=1S/C15H26N2O/c1-13(2)6-7-15(18)16-10-8-14-5-4-11-17(3)12-9-14/h13-14H,4-5,8-12H2,1-3H3,(H,16,18)
InChIKeyARZPAIUOOCHOGI-UHFFFAOYSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[(1-methylpiperidin-4-yl)methyl]pent-2-ynamide
CID 146386682
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(propan-2-ylamino)propanamide
CID 113267480
(2S)-2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 103814143
ethane;N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
CID 145305078
2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride
CID 119865894
2-[2-(1-methylpiperidin-4-yl)ethylamino]propanoic acid
CID 114515260
2-(1-methylpiperidin-3-yl)ethylurea
CID 115168583
1-cyclohexyl-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 115611118
2-(hydroxymethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 115186732
ethyl 2-[2-(1-methylpiperidin-4-yl)ethylamino]-2-oxoacetate
CID 114516531
3-methylbutan-2-ol;(1-methylpiperidin-4-yl)-[4-[2-(propan-2-ylamino)ethyl]piperidin-1-yl]methanone
CID 172604152
(2R)-1-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 104931998

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(1-methylazepan-4-yl)ethyl]pent-2-ynamide?
The IUPAC name of 4-methyl-N-[2-(1-methylazepan-4-yl)ethyl]pent-2-ynamide (CID 146386684) is 4-methyl-N-[2-(1-methylazepan-4-yl)ethyl]pent-2-ynamide.
What is the SMILES notation for 4-methyl-N-[2-(1-methylazepan-4-yl)ethyl]pent-2-ynamide?
The canonical SMILES for 4-methyl-N-[2-(1-methylazepan-4-yl)ethyl]pent-2-ynamide is CC(C)C#CC(=O)NCCC1CCCN(C)CC1.
What is the InChIKey of 4-methyl-N-[2-(1-methylazepan-4-yl)ethyl]pent-2-ynamide?
The InChIKey is ARZPAIUOOCHOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-13(2)6-7-15(18)16-10-8-14-5-4-11-17(3)12-9-14/h13-14H,4-5,8-12H2,1-3H3,(H,16,18).
What are the key properties of 4-methyl-N-[2-(1-methylazepan-4-yl)ethyl]pent-2-ynamide?
4-methyl-N-[2-(1-methylazepan-4-yl)ethyl]pent-2-ynamide has a molecular weight of 250.39 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(1-methylazepan-4-yl)ethyl]pent-2-ynamide is sourced from PubChem (CID 146386684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).