3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]butanamide

C14H28N2O — CID 113250248

IUPAC3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]butanamide
SMILESCC1CCC(C(C)C)C(NC(C)CC(N)=O)C1
InChIInChI=1S/C14H28N2O/c1-9(2)12-6-5-10(3)7-13(12)16-11(4)8-14(15)17/h9-13,16H,5-8H2,1-4H3,(H2,15,17)
InChIKeyNSZYVYLKYAHFAF-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.30
Rot. Bonds5

About 3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]butanamide

3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]butanamide (PubChem CID 113250248) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]butanamide.

Molecular Properties

Compound Name3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]butanamide
PubChem CID113250248
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]butanamide
SMILESCC1CCC(C(C)C)C(NC(C)CC(N)=O)C1
InChIInChI=1S/C14H28N2O/c1-9(2)12-6-5-10(3)7-13(12)16-11(4)8-14(15)17/h9-13,16H,5-8H2,1-4H3,(H2,15,17)
InChIKeyNSZYVYLKYAHFAF-UHFFFAOYSA-N
XLogP2.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]butanamide?
The IUPAC name of 3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]butanamide (CID 113250248) is 3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]butanamide.
What is the SMILES notation for 3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]butanamide?
The canonical SMILES for 3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]butanamide is CC1CCC(C(C)C)C(NC(C)CC(N)=O)C1.
What is the InChIKey of 3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]butanamide?
The InChIKey is NSZYVYLKYAHFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-9(2)12-6-5-10(3)7-13(12)16-11(4)8-14(15)17/h9-13,16H,5-8H2,1-4H3,(H2,15,17).
What are the key properties of 3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]butanamide?
3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]butanamide has a molecular weight of 240.39 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]butanamide is sourced from PubChem (CID 113250248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).