2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-tert-butylacetamide

C16H33N3O — CID 62007297

IUPAC2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-tert-butylacetamide
SMILESCCN(CC(=O)NC(C)(C)C)C1(CN)CCCC(C)C1
InChIInChI=1S/C16H33N3O/c1-6-19(11-14(20)18-15(3,4)5)16(12-17)9-7-8-13(2)10-16/h13H,6-12,17H2,1-5H3,(H,18,20)
InChIKeyHBVDBMVHWLIXLN-UHFFFAOYSA-N
MW283.46 g/mol
LogP2.13
Rot. Bonds5

About 2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-tert-butylacetamide

2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-tert-butylacetamide (PubChem CID 62007297) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-tert-butylacetamide
PubChem CID62007297
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-tert-butylacetamide
SMILESCCN(CC(=O)NC(C)(C)C)C1(CN)CCCC(C)C1
InChIInChI=1S/C16H33N3O/c1-6-19(11-14(20)18-15(3,4)5)16(12-17)9-7-8-13(2)10-16/h13H,6-12,17H2,1-5H3,(H,18,20)
InChIKeyHBVDBMVHWLIXLN-UHFFFAOYSA-N
XLogP2.13
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-cyclopropylacetamide
CID 62007304
2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-(cyclopropylmethyl)acetamide
CID 62007288
2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-butylacetamide
CID 62004897
2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-cyclopropyl-N-methylacetamide
CID 62007123
3-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-propan-2-ylpropanamide
CID 62624505
2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-(2-methylbutan-2-yl)acetamide
CID 62006571
1-(aminomethyl)-N-ethyl-N-(2-fluoroethyl)-3-methylcyclohexan-1-amine
CID 80698860
2-[[1-(aminomethyl)-3-methylcyclohexyl]-methylamino]-N-propan-2-ylacetamide
CID 62006956
2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-methylacetamide
CID 62006925
1-(aminomethyl)-N-ethyl-3-methyl-N-octylcyclohexan-1-amine
CID 63485990
1-(aminomethyl)-N-ethyl-N-(3-ethylsulfonylpropyl)-3-methylcyclohexan-1-amine
CID 65093979
2-[[1-(aminomethyl)cycloheptyl]-ethylamino]-N-propan-2-ylacetamide
CID 62007529

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-tert-butylacetamide?
The IUPAC name of 2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-tert-butylacetamide (CID 62007297) is 2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-tert-butylacetamide?
The canonical SMILES for 2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-tert-butylacetamide is CCN(CC(=O)NC(C)(C)C)C1(CN)CCCC(C)C1.
What is the InChIKey of 2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-tert-butylacetamide?
The InChIKey is HBVDBMVHWLIXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-6-19(11-14(20)18-15(3,4)5)16(12-17)9-7-8-13(2)10-16/h13H,6-12,17H2,1-5H3,(H,18,20).
What are the key properties of 2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-tert-butylacetamide?
2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-tert-butylacetamide has a molecular weight of 283.46 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-tert-butylacetamide is sourced from PubChem (CID 62007297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).