2-amino-N-(cyclooctylmethyl)-2-methylpentanamide;hydrochloride

C15H31ClN2O — CID 119741898

IUPAC2-amino-N-(cyclooctylmethyl)-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NCC1CCCCCCC1.Cl
InChIInChI=1S/C15H30N2O.ClH/c1-3-11-15(2,16)14(18)17-12-13-9-7-5-4-6-8-10-13;/h13H,3-12,16H2,1-2H3,(H,17,18);1H
InChIKeyIRUSRBPZIXULKM-UHFFFAOYSA-N
MW290.88 g/mol
LogP3.40
Rot. Bonds5

About 2-amino-N-(cyclooctylmethyl)-2-methylpentanamide;hydrochloride

2-amino-N-(cyclooctylmethyl)-2-methylpentanamide;hydrochloride (PubChem CID 119741898) has the molecular formula C15H31ClN2O and a molecular weight of 290.88 g/mol. Its IUPAC name is 2-amino-N-(cyclooctylmethyl)-2-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(cyclooctylmethyl)-2-methylpentanamide;hydrochloride
PubChem CID119741898
Molecular FormulaC15H31ClN2O
Molecular Weight290.88 g/mol
Exact Mass290.21
IUPAC Name2-amino-N-(cyclooctylmethyl)-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NCC1CCCCCCC1.Cl
InChIInChI=1S/C15H30N2O.ClH/c1-3-11-15(2,16)14(18)17-12-13-9-7-5-4-6-8-10-13;/h13H,3-12,16H2,1-2H3,(H,17,18);1H
InChIKeyIRUSRBPZIXULKM-UHFFFAOYSA-N
XLogP3.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.88
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(cyclooctylmethyl)-2-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-(cyclooctylmethyl)-2-methylpentanamide;hydrochloride (CID 119741898) is 2-amino-N-(cyclooctylmethyl)-2-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(cyclooctylmethyl)-2-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(cyclooctylmethyl)-2-methylpentanamide;hydrochloride is CCCC(C)(N)C(=O)NCC1CCCCCCC1.Cl.
What is the InChIKey of 2-amino-N-(cyclooctylmethyl)-2-methylpentanamide;hydrochloride?
The InChIKey is IRUSRBPZIXULKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O.ClH/c1-3-11-15(2,16)14(18)17-12-13-9-7-5-4-6-8-10-13;/h13H,3-12,16H2,1-2H3,(H,17,18);1H.
What are the key properties of 2-amino-N-(cyclooctylmethyl)-2-methylpentanamide;hydrochloride?
2-amino-N-(cyclooctylmethyl)-2-methylpentanamide;hydrochloride has a molecular weight of 290.88 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(cyclooctylmethyl)-2-methylpentanamide;hydrochloride is sourced from PubChem (CID 119741898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).