3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-5,5-dimethylhexanamide

C15H28N2O — CID 113497065

IUPAC3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-5,5-dimethylhexanamide
SMILESCC(C)(C)CC(N)CC(=O)N(CC1CC1)C1CC1
InChIInChI=1S/C15H28N2O/c1-15(2,3)9-12(16)8-14(18)17(13-6-7-13)10-11-4-5-11/h11-13H,4-10,16H2,1-3H3
InChIKeyJIBSLTDJUFPIEY-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.54
Rot. Bonds6

About 3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-5,5-dimethylhexanamide

3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-5,5-dimethylhexanamide (PubChem CID 113497065) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-5,5-dimethylhexanamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-5,5-dimethylhexanamide
PubChem CID113497065
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-5,5-dimethylhexanamide
SMILESCC(C)(C)CC(N)CC(=O)N(CC1CC1)C1CC1
InChIInChI=1S/C15H28N2O/c1-15(2,3)9-12(16)8-14(18)17(13-6-7-13)10-11-4-5-11/h11-13H,4-10,16H2,1-3H3
InChIKeyJIBSLTDJUFPIEY-UHFFFAOYSA-N
XLogP2.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-5,5-dimethylhexanamide?
The IUPAC name of 3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-5,5-dimethylhexanamide (CID 113497065) is 3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-5,5-dimethylhexanamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-5,5-dimethylhexanamide?
The canonical SMILES for 3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-5,5-dimethylhexanamide is CC(C)(C)CC(N)CC(=O)N(CC1CC1)C1CC1.
What is the InChIKey of 3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-5,5-dimethylhexanamide?
The InChIKey is JIBSLTDJUFPIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-15(2,3)9-12(16)8-14(18)17(13-6-7-13)10-11-4-5-11/h11-13H,4-10,16H2,1-3H3.
What are the key properties of 3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-5,5-dimethylhexanamide?
3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-5,5-dimethylhexanamide has a molecular weight of 252.40 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-5,5-dimethylhexanamide is sourced from PubChem (CID 113497065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).