3-(4-tert-butylcyclohexyl)-3-(methylamino)propanamide

C14H28N2O — CID 104576070

IUPAC3-(4-tert-butylcyclohexyl)-3-(methylamino)propanamide
SMILESCNC(CC(N)=O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H28N2O/c1-14(2,3)11-7-5-10(6-8-11)12(16-4)9-13(15)17/h10-12,16H,5-9H2,1-4H3,(H2,15,17)
InChIKeyVGYXLETWZJWWDX-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.30
Rot. Bonds4

About 3-(4-tert-butylcyclohexyl)-3-(methylamino)propanamide

3-(4-tert-butylcyclohexyl)-3-(methylamino)propanamide (PubChem CID 104576070) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-(4-tert-butylcyclohexyl)-3-(methylamino)propanamide.

Molecular Properties

Compound Name3-(4-tert-butylcyclohexyl)-3-(methylamino)propanamide
PubChem CID104576070
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-(4-tert-butylcyclohexyl)-3-(methylamino)propanamide
SMILESCNC(CC(N)=O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H28N2O/c1-14(2,3)11-7-5-10(6-8-11)12(16-4)9-13(15)17/h10-12,16H,5-9H2,1-4H3,(H2,15,17)
InChIKeyVGYXLETWZJWWDX-UHFFFAOYSA-N
XLogP2.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylcyclohexyl)-N-methylpentan-1-amine
CID 65402958
(3R)-3-amino-3-(4-tert-butylcyclohexyl)propanoic acid
CID 104941123
1-(4-tert-butylcyclohexyl)-N-methylpent-4-en-1-amine
CID 65400751
4-amino-2-[(4-tert-butylcyclohexanecarbonyl)amino]-4-oxobutanoic acid
CID 43092294
2-(4-tert-butylcyclohexyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 104575511
3-(4-tert-butylcyclohexyl)-3-(phenylmethoxycarbonylamino)propanoic acid
CID 104575616
[1-(4-tert-butylcyclohexyl)-3-methylbutyl]hydrazine
CID 105232627
3-amino-4-(4-tert-butylpiperidin-1-yl)-4-oxobutanamide;hydrochloride
CID 119957116
4-amino-3-(4-tert-butylcyclohexyl)butanoic acid
CID 104576095
tert-butyl 4-cyclopropyl-4-(methylamino)butanoate
CID 58488469
3-cyclohexyl-3-[[2-(methylamino)acetyl]amino]propanamide;hydrochloride
CID 119818633
4-amino-3-(4-tert-butylpiperidin-1-yl)butanamide
CID 66426477

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylcyclohexyl)-3-(methylamino)propanamide?
The IUPAC name of 3-(4-tert-butylcyclohexyl)-3-(methylamino)propanamide (CID 104576070) is 3-(4-tert-butylcyclohexyl)-3-(methylamino)propanamide.
What is the SMILES notation for 3-(4-tert-butylcyclohexyl)-3-(methylamino)propanamide?
The canonical SMILES for 3-(4-tert-butylcyclohexyl)-3-(methylamino)propanamide is CNC(CC(N)=O)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 3-(4-tert-butylcyclohexyl)-3-(methylamino)propanamide?
The InChIKey is VGYXLETWZJWWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-14(2,3)11-7-5-10(6-8-11)12(16-4)9-13(15)17/h10-12,16H,5-9H2,1-4H3,(H2,15,17).
What are the key properties of 3-(4-tert-butylcyclohexyl)-3-(methylamino)propanamide?
3-(4-tert-butylcyclohexyl)-3-(methylamino)propanamide has a molecular weight of 240.39 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylcyclohexyl)-3-(methylamino)propanamide is sourced from PubChem (CID 104576070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).