2-[1-(aminomethyl)cyclohexyl]-N-(2-methoxyethyl)-N-prop-2-enylacetamide

C15H28N2O2 — CID 103338720

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-(2-methoxyethyl)-N-prop-2-enylacetamide
SMILESC=CCN(CCOC)C(=O)CC1(CN)CCCCC1
InChIInChI=1S/C15H28N2O2/c1-3-9-17(10-11-19-2)14(18)12-15(13-16)7-5-4-6-8-15/h3H,1,4-13,16H2,2H3
InChIKeyBFZRFSJXYHFGOP-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.95
Rot. Bonds8

About 2-[1-(aminomethyl)cyclohexyl]-N-(2-methoxyethyl)-N-prop-2-enylacetamide

2-[1-(aminomethyl)cyclohexyl]-N-(2-methoxyethyl)-N-prop-2-enylacetamide (PubChem CID 103338720) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-(2-methoxyethyl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-(2-methoxyethyl)-N-prop-2-enylacetamide
PubChem CID103338720
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-(2-methoxyethyl)-N-prop-2-enylacetamide
SMILESC=CCN(CCOC)C(=O)CC1(CN)CCCCC1
InChIInChI=1S/C15H28N2O2/c1-3-9-17(10-11-19-2)14(18)12-15(13-16)7-5-4-6-8-15/h3H,1,4-13,16H2,2H3
InChIKeyBFZRFSJXYHFGOP-UHFFFAOYSA-N
XLogP1.95
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-(2-methoxyethyl)acetamide
CID 104678009
2-[1-(aminomethyl)cyclobutyl]-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)acetamide
CID 81172527
2-[1-(aminomethyl)cyclohexyl]-N,N-dipropylacetamide
CID 104677371
N-(2-methoxyethyl)-3-oxo-N-prop-2-enylbutanamide
CID 103338945
3-amino-N-(2-methoxyethyl)-3-methyl-N-prop-2-enylbutanamide
CID 103338897
2-[1-(aminomethyl)cyclobutyl]-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 81172532
4-chloro-N-(2-methoxyethyl)-N-prop-2-enylbutanamide
CID 103338580
5-bromo-N-(2-methoxyethyl)-N-prop-2-enylpentanamide
CID 107910751
2-[1-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 103339758
prop-2-enyl 2-[1-(aminomethyl)cyclohexyl]acetate;hydrochloride
CID 66743418
2-(ethylamino)-N-(2-methoxyethyl)-N-prop-2-enylacetamide
CID 103338694
2-[1-(aminomethyl)cyclohexyl]-N-(2-methoxyethyl)acetamide
CID 82680747

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-(2-methoxyethyl)-N-prop-2-enylacetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-(2-methoxyethyl)-N-prop-2-enylacetamide (CID 103338720) is 2-[1-(aminomethyl)cyclohexyl]-N-(2-methoxyethyl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-(2-methoxyethyl)-N-prop-2-enylacetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-(2-methoxyethyl)-N-prop-2-enylacetamide is C=CCN(CCOC)C(=O)CC1(CN)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-(2-methoxyethyl)-N-prop-2-enylacetamide?
The InChIKey is BFZRFSJXYHFGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-3-9-17(10-11-19-2)14(18)12-15(13-16)7-5-4-6-8-15/h3H,1,4-13,16H2,2H3.
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-(2-methoxyethyl)-N-prop-2-enylacetamide?
2-[1-(aminomethyl)cyclohexyl]-N-(2-methoxyethyl)-N-prop-2-enylacetamide has a molecular weight of 268.40 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N-(2-methoxyethyl)-N-prop-2-enylacetamide is sourced from PubChem (CID 103338720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).