6-amino-N-(2-cyanoethyl)-N-cyclopropyl-4,4-dimethylhexanamide

C14H25N3O — CID 65292006

IUPAC6-amino-N-(2-cyanoethyl)-N-cyclopropyl-4,4-dimethylhexanamide
SMILESCC(C)(CCN)CCC(=O)N(CCC#N)C1CC1
InChIInChI=1S/C14H25N3O/c1-14(2,8-10-16)7-6-13(18)17(11-3-9-15)12-4-5-12/h12H,3-8,10-11,16H2,1-2H3
InChIKeyFITYRGACZHTYNP-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.05
Rot. Bonds8

About 6-amino-N-(2-cyanoethyl)-N-cyclopropyl-4,4-dimethylhexanamide

6-amino-N-(2-cyanoethyl)-N-cyclopropyl-4,4-dimethylhexanamide (PubChem CID 65292006) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 6-amino-N-(2-cyanoethyl)-N-cyclopropyl-4,4-dimethylhexanamide.

Molecular Properties

Compound Name6-amino-N-(2-cyanoethyl)-N-cyclopropyl-4,4-dimethylhexanamide
PubChem CID65292006
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name6-amino-N-(2-cyanoethyl)-N-cyclopropyl-4,4-dimethylhexanamide
SMILESCC(C)(CCN)CCC(=O)N(CCC#N)C1CC1
InChIInChI=1S/C14H25N3O/c1-14(2,8-10-16)7-6-13(18)17(11-3-9-15)12-4-5-12/h12H,3-8,10-11,16H2,1-2H3
InChIKeyFITYRGACZHTYNP-UHFFFAOYSA-N
XLogP2.05
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2-cyanoethyl)-N-cyclopropyl-4,4-dimethylhexanamide?
The IUPAC name of 6-amino-N-(2-cyanoethyl)-N-cyclopropyl-4,4-dimethylhexanamide (CID 65292006) is 6-amino-N-(2-cyanoethyl)-N-cyclopropyl-4,4-dimethylhexanamide.
What is the SMILES notation for 6-amino-N-(2-cyanoethyl)-N-cyclopropyl-4,4-dimethylhexanamide?
The canonical SMILES for 6-amino-N-(2-cyanoethyl)-N-cyclopropyl-4,4-dimethylhexanamide is CC(C)(CCN)CCC(=O)N(CCC#N)C1CC1.
What is the InChIKey of 6-amino-N-(2-cyanoethyl)-N-cyclopropyl-4,4-dimethylhexanamide?
The InChIKey is FITYRGACZHTYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-14(2,8-10-16)7-6-13(18)17(11-3-9-15)12-4-5-12/h12H,3-8,10-11,16H2,1-2H3.
What are the key properties of 6-amino-N-(2-cyanoethyl)-N-cyclopropyl-4,4-dimethylhexanamide?
6-amino-N-(2-cyanoethyl)-N-cyclopropyl-4,4-dimethylhexanamide has a molecular weight of 251.37 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2-cyanoethyl)-N-cyclopropyl-4,4-dimethylhexanamide is sourced from PubChem (CID 65292006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).