N-(2-aminoethyl)-N-cyclopentyl-4,4-dimethylpentanamide

C14H28N2O — CID 114212706

IUPACN-(2-aminoethyl)-N-cyclopentyl-4,4-dimethylpentanamide
SMILESCC(C)(C)CCC(=O)N(CCN)C1CCCC1
InChIInChI=1S/C14H28N2O/c1-14(2,3)9-8-13(17)16(11-10-15)12-6-4-5-7-12/h12H,4-11,15H2,1-3H3
InChIKeyMTMXFTIELQCORE-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.54
Rot. Bonds5

About N-(2-aminoethyl)-N-cyclopentyl-4,4-dimethylpentanamide

N-(2-aminoethyl)-N-cyclopentyl-4,4-dimethylpentanamide (PubChem CID 114212706) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-cyclopentyl-4,4-dimethylpentanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-cyclopentyl-4,4-dimethylpentanamide
PubChem CID114212706
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-(2-aminoethyl)-N-cyclopentyl-4,4-dimethylpentanamide
SMILESCC(C)(C)CCC(=O)N(CCN)C1CCCC1
InChIInChI=1S/C14H28N2O/c1-14(2,3)9-8-13(17)16(11-10-15)12-6-4-5-7-12/h12H,4-11,15H2,1-3H3
InChIKeyMTMXFTIELQCORE-UHFFFAOYSA-N
XLogP2.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-cyclopentyl-4,4-dimethylpentanamide?
The IUPAC name of N-(2-aminoethyl)-N-cyclopentyl-4,4-dimethylpentanamide (CID 114212706) is N-(2-aminoethyl)-N-cyclopentyl-4,4-dimethylpentanamide.
What is the SMILES notation for N-(2-aminoethyl)-N-cyclopentyl-4,4-dimethylpentanamide?
The canonical SMILES for N-(2-aminoethyl)-N-cyclopentyl-4,4-dimethylpentanamide is CC(C)(C)CCC(=O)N(CCN)C1CCCC1.
What is the InChIKey of N-(2-aminoethyl)-N-cyclopentyl-4,4-dimethylpentanamide?
The InChIKey is MTMXFTIELQCORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-14(2,3)9-8-13(17)16(11-10-15)12-6-4-5-7-12/h12H,4-11,15H2,1-3H3.
What are the key properties of N-(2-aminoethyl)-N-cyclopentyl-4,4-dimethylpentanamide?
N-(2-aminoethyl)-N-cyclopentyl-4,4-dimethylpentanamide has a molecular weight of 240.39 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-cyclopentyl-4,4-dimethylpentanamide is sourced from PubChem (CID 114212706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).