3-amino-N-(4-tert-butylcyclohexyl)propanamide

C13H26N2O — CID 20608666

IUPAC3-amino-N-(4-tert-butylcyclohexyl)propanamide
SMILESCC(C)(C)C1CCC(NC(=O)CCN)CC1
InChIInChI=1S/C13H26N2O/c1-13(2,3)10-4-6-11(7-5-10)15-12(16)8-9-14/h10-11H,4-9,14H2,1-3H3,(H,15,16)
InChIKeyCBKPLWFXJFYJBT-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.06
Rot. Bonds3

About 3-amino-N-(4-tert-butylcyclohexyl)propanamide

3-amino-N-(4-tert-butylcyclohexyl)propanamide (PubChem CID 20608666) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-amino-N-(4-tert-butylcyclohexyl)propanamide.

Molecular Properties

Compound Name3-amino-N-(4-tert-butylcyclohexyl)propanamide
PubChem CID20608666
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-amino-N-(4-tert-butylcyclohexyl)propanamide
SMILESCC(C)(C)C1CCC(NC(=O)CCN)CC1
InChIInChI=1S/C13H26N2O/c1-13(2,3)10-4-6-11(7-5-10)15-12(16)8-9-14/h10-11H,4-9,14H2,1-3H3,(H,15,16)
InChIKeyCBKPLWFXJFYJBT-UHFFFAOYSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-tert-butylcyclohexyl)propanamide?
The IUPAC name of 3-amino-N-(4-tert-butylcyclohexyl)propanamide (CID 20608666) is 3-amino-N-(4-tert-butylcyclohexyl)propanamide.
What is the SMILES notation for 3-amino-N-(4-tert-butylcyclohexyl)propanamide?
The canonical SMILES for 3-amino-N-(4-tert-butylcyclohexyl)propanamide is CC(C)(C)C1CCC(NC(=O)CCN)CC1.
What is the InChIKey of 3-amino-N-(4-tert-butylcyclohexyl)propanamide?
The InChIKey is CBKPLWFXJFYJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-13(2,3)10-4-6-11(7-5-10)15-12(16)8-9-14/h10-11H,4-9,14H2,1-3H3,(H,15,16).
What are the key properties of 3-amino-N-(4-tert-butylcyclohexyl)propanamide?
3-amino-N-(4-tert-butylcyclohexyl)propanamide has a molecular weight of 226.36 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-tert-butylcyclohexyl)propanamide is sourced from PubChem (CID 20608666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).