2-[(4-tert-butylcyclohexyl)methylamino]-N-ethyl-N-methylpropanamide

C17H34N2O — CID 103107695

IUPAC2-[(4-tert-butylcyclohexyl)methylamino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NCC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H34N2O/c1-7-19(6)16(20)13(2)18-12-14-8-10-15(11-9-14)17(3,4)5/h13-15,18H,7-12H2,1-6H3
InChIKeyKNNNEDVOMQTZNV-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.30
Rot. Bonds5

About 2-[(4-tert-butylcyclohexyl)methylamino]-N-ethyl-N-methylpropanamide

2-[(4-tert-butylcyclohexyl)methylamino]-N-ethyl-N-methylpropanamide (PubChem CID 103107695) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-[(4-tert-butylcyclohexyl)methylamino]-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-[(4-tert-butylcyclohexyl)methylamino]-N-ethyl-N-methylpropanamide
PubChem CID103107695
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name2-[(4-tert-butylcyclohexyl)methylamino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NCC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H34N2O/c1-7-19(6)16(20)13(2)18-12-14-8-10-15(11-9-14)17(3,4)5/h13-15,18H,7-12H2,1-6H3
InChIKeyKNNNEDVOMQTZNV-UHFFFAOYSA-N
XLogP3.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethylamino)-N-ethyl-N-methylpropanamide
CID 103106979
2-(cycloheptylmethylamino)-N-ethyl-N-methylpropanamide
CID 103107981
2-[(4-tert-butylcyclohexyl)amino]-N-ethyl-N-methylpropanamide
CID 103107530
N-ethyl-N-methyl-2-(oxan-3-ylmethylamino)propanamide
CID 103106976
N-ethyl-N-methyl-2-(thiolan-3-ylmethylamino)propanamide
CID 107132515
2-N-[(4-tert-butylcyclohexyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine
CID 103109582
2-amino-2-cyclopropyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]propanamide
CID 103109023
N-ethyl-N-methyl-2-(oxan-2-ylmethylamino)propanamide
CID 103108703
N-[(4-tert-butylcyclohexyl)methyl]-3-ethylpentan-2-amine
CID 104575103
(2R)-2-amino-N-[(4-tert-butylcyclohexyl)methyl]propanamide;hydrochloride
CID 119337815
(2S)-2-[(4-tert-butylcyclohexyl)methylamino]-3-methylbutan-1-ol
CID 114983139
N-ethyl-2-[(3-hydroxy-3-methylbutyl)amino]-N-methylpropanamide
CID 103108355

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylcyclohexyl)methylamino]-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-[(4-tert-butylcyclohexyl)methylamino]-N-ethyl-N-methylpropanamide (CID 103107695) is 2-[(4-tert-butylcyclohexyl)methylamino]-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-[(4-tert-butylcyclohexyl)methylamino]-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-[(4-tert-butylcyclohexyl)methylamino]-N-ethyl-N-methylpropanamide is CCN(C)C(=O)C(C)NCC1CCC(C(C)(C)C)CC1.
What is the InChIKey of 2-[(4-tert-butylcyclohexyl)methylamino]-N-ethyl-N-methylpropanamide?
The InChIKey is KNNNEDVOMQTZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-7-19(6)16(20)13(2)18-12-14-8-10-15(11-9-14)17(3,4)5/h13-15,18H,7-12H2,1-6H3.
What are the key properties of 2-[(4-tert-butylcyclohexyl)methylamino]-N-ethyl-N-methylpropanamide?
2-[(4-tert-butylcyclohexyl)methylamino]-N-ethyl-N-methylpropanamide has a molecular weight of 282.47 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylcyclohexyl)methylamino]-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 103107695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).