2-(cyclohexylmethylamino)-N-(3-ethylpent-1-yn-3-yl)acetamide;methanamine

C17H33N3O — CID 143903152

IUPAC2-(cyclohexylmethylamino)-N-(3-ethylpent-1-yn-3-yl)acetamide;methanamine
SMILESC#CC(CC)(CC)NC(=O)CNCC1CCCCC1.CN
InChIInChI=1S/C16H28N2O.CH5N/c1-4-16(5-2,6-3)18-15(19)13-17-12-14-10-8-7-9-11-14;1-2/h1,14,17H,5-13H2,2-3H3,(H,18,19);2H2,1H3
InChIKeyNYPROYJTDYFFJE-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.04
Rot. Bonds7

About 2-(cyclohexylmethylamino)-N-(3-ethylpent-1-yn-3-yl)acetamide;methanamine

2-(cyclohexylmethylamino)-N-(3-ethylpent-1-yn-3-yl)acetamide;methanamine (PubChem CID 143903152) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-(cyclohexylmethylamino)-N-(3-ethylpent-1-yn-3-yl)acetamide;methanamine.

Molecular Properties

Compound Name2-(cyclohexylmethylamino)-N-(3-ethylpent-1-yn-3-yl)acetamide;methanamine
PubChem CID143903152
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name2-(cyclohexylmethylamino)-N-(3-ethylpent-1-yn-3-yl)acetamide;methanamine
SMILESC#CC(CC)(CC)NC(=O)CNCC1CCCCC1.CN
InChIInChI=1S/C16H28N2O.CH5N/c1-4-16(5-2,6-3)18-15(19)13-17-12-14-10-8-7-9-11-14;1-2/h1,14,17H,5-13H2,2-3H3,(H,18,19);2H2,1H3
InChIKeyNYPROYJTDYFFJE-UHFFFAOYSA-N
XLogP2.04
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopentylmethylamino)-N-(2-methylbutan-2-yl)acetamide
CID 61486055
2-(3-aminoazetidin-1-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide
CID 65249512
N-(3-cyanopentan-3-yl)-2-cyclohexylacetamide
CID 61120227
2-(cyclooctylmethylamino)-N-methylacetamide
CID 134293833
1-[[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid
CID 81167653
2-(cyclopropylmethylamino)-N-(3-methylpentan-3-yl)acetamide;hydrochloride
CID 119785992
N-(3-ethylpent-1-yn-3-yl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63267637
2-[cyclopropylmethyl-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl]amino]acetic acid
CID 43656806
N-cyclopentyloxy-2-(cyclopropylmethylamino)acetamide
CID 83235393
1-(azepan-1-yl)-2-(cyclopentylmethylamino)ethanone
CID 43371059
2-(cyclohexylmethylamino)-1-piperidin-1-ylethanone
CID 43216149
2-[[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65263780

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethylamino)-N-(3-ethylpent-1-yn-3-yl)acetamide;methanamine?
The IUPAC name of 2-(cyclohexylmethylamino)-N-(3-ethylpent-1-yn-3-yl)acetamide;methanamine (CID 143903152) is 2-(cyclohexylmethylamino)-N-(3-ethylpent-1-yn-3-yl)acetamide;methanamine.
What is the SMILES notation for 2-(cyclohexylmethylamino)-N-(3-ethylpent-1-yn-3-yl)acetamide;methanamine?
The canonical SMILES for 2-(cyclohexylmethylamino)-N-(3-ethylpent-1-yn-3-yl)acetamide;methanamine is C#CC(CC)(CC)NC(=O)CNCC1CCCCC1.CN.
What is the InChIKey of 2-(cyclohexylmethylamino)-N-(3-ethylpent-1-yn-3-yl)acetamide;methanamine?
The InChIKey is NYPROYJTDYFFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O.CH5N/c1-4-16(5-2,6-3)18-15(19)13-17-12-14-10-8-7-9-11-14;1-2/h1,14,17H,5-13H2,2-3H3,(H,18,19);2H2,1H3.
What are the key properties of 2-(cyclohexylmethylamino)-N-(3-ethylpent-1-yn-3-yl)acetamide;methanamine?
2-(cyclohexylmethylamino)-N-(3-ethylpent-1-yn-3-yl)acetamide;methanamine has a molecular weight of 295.47 g/mol, XLogP of 2.04, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethylamino)-N-(3-ethylpent-1-yn-3-yl)acetamide;methanamine is sourced from PubChem (CID 143903152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).