N-[(4-tert-butylcyclohexyl)methyl]-2-methyl-3-(methylamino)propanamide

C16H32N2O — CID 119808651

IUPACN-[(4-tert-butylcyclohexyl)methyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NCC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H32N2O/c1-12(10-17-5)15(19)18-11-13-6-8-14(9-7-13)16(2,3)4/h12-14,17H,6-11H2,1-5H3,(H,18,19)
InChIKeyXFPARZGMLMRSKO-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.81
Rot. Bonds5

About N-[(4-tert-butylcyclohexyl)methyl]-2-methyl-3-(methylamino)propanamide

N-[(4-tert-butylcyclohexyl)methyl]-2-methyl-3-(methylamino)propanamide (PubChem CID 119808651) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-[(4-tert-butylcyclohexyl)methyl]-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[(4-tert-butylcyclohexyl)methyl]-2-methyl-3-(methylamino)propanamide
PubChem CID119808651
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-[(4-tert-butylcyclohexyl)methyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NCC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H32N2O/c1-12(10-17-5)15(19)18-11-13-6-8-14(9-7-13)16(2,3)4/h12-14,17H,6-11H2,1-5H3,(H,18,19)
InChIKeyXFPARZGMLMRSKO-UHFFFAOYSA-N
XLogP2.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclobutylmethyl)-2-methyl-3-(methylamino)propanamide
CID 79196076
N-[(4-hydroxycyclohexyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 106135488
(2R)-2-amino-N-[(4-tert-butylcyclohexyl)methyl]propanamide;hydrochloride
CID 119337815
2-methyl-3-(methylamino)-N-[(3-methylcyclopentyl)methyl]propanamide
CID 107413053
N-(2-cyclohexylethyl)-2-methyl-3-(methylamino)propanamide
CID 79195699
N-(2-cyclopropylpropan-2-yl)-2-methyl-3-(methylamino)propanamide
CID 103809622
2-methyl-3-(methylamino)-N-(oxolan-3-ylmethyl)propanamide;hydrochloride
CID 119716813
N-(cyclohexylmethyl)-3-methyl-2-(methylaminomethyl)butanamide
CID 115187727
N-(cyclobutylmethyl)-3-(ethylamino)-2-methylpropanamide
CID 62853240
N-[(4-chlorocyclohexyl)methyl]-2-methylbutanamide
CID 106133616
N-[(4-hydroxycyclohexyl)methyl]-2-methylbutanamide
CID 106123043
N-(cyclopropylmethyl)-2-hydroxypropanamide
CID 131088894

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylcyclohexyl)methyl]-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-[(4-tert-butylcyclohexyl)methyl]-2-methyl-3-(methylamino)propanamide (CID 119808651) is N-[(4-tert-butylcyclohexyl)methyl]-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[(4-tert-butylcyclohexyl)methyl]-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-[(4-tert-butylcyclohexyl)methyl]-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)NCC1CCC(C(C)(C)C)CC1.
What is the InChIKey of N-[(4-tert-butylcyclohexyl)methyl]-2-methyl-3-(methylamino)propanamide?
The InChIKey is XFPARZGMLMRSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-12(10-17-5)15(19)18-11-13-6-8-14(9-7-13)16(2,3)4/h12-14,17H,6-11H2,1-5H3,(H,18,19).
What are the key properties of N-[(4-tert-butylcyclohexyl)methyl]-2-methyl-3-(methylamino)propanamide?
N-[(4-tert-butylcyclohexyl)methyl]-2-methyl-3-(methylamino)propanamide has a molecular weight of 268.44 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylcyclohexyl)methyl]-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 119808651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).