2-amino-1-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-2-methylpentan-1-one;hydrochloride

C18H34ClN3O2 — CID 119710551

IUPAC2-amino-1-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-2-methylpentan-1-one;hydrochloride
SMILESCCCC(C)(N)C(=O)N1CCCN(C(=O)CC2CCCC2)CC1.Cl
InChIInChI=1S/C18H33N3O2.ClH/c1-3-9-18(2,19)17(23)21-11-6-10-20(12-13-21)16(22)14-15-7-4-5-8-15;/h15H,3-14,19H2,1-2H3;1H
InChIKeyDGJDNZGQCSAHGL-UHFFFAOYSA-N
MW359.94 g/mol
LogP2.57
Rot. Bonds5

About 2-amino-1-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-2-methylpentan-1-one;hydrochloride

2-amino-1-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-2-methylpentan-1-one;hydrochloride (PubChem CID 119710551) has the molecular formula C18H34ClN3O2 and a molecular weight of 359.94 g/mol. Its IUPAC name is 2-amino-1-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-2-methylpentan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-2-methylpentan-1-one;hydrochloride
PubChem CID119710551
Molecular FormulaC18H34ClN3O2
Molecular Weight359.94 g/mol
Exact Mass359.23
IUPAC Name2-amino-1-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-2-methylpentan-1-one;hydrochloride
SMILESCCCC(C)(N)C(=O)N1CCCN(C(=O)CC2CCCC2)CC1.Cl
InChIInChI=1S/C18H33N3O2.ClH/c1-3-9-18(2,19)17(23)21-11-6-10-20(12-13-21)16(22)14-15-7-4-5-8-15;/h15H,3-14,19H2,1-2H3;1H
InChIKeyDGJDNZGQCSAHGL-UHFFFAOYSA-N
XLogP2.57
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.94
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-1-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-2-methylpentan-1-one;hydrochloride with MolForge

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Related Compounds

2-amino-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-2-methylpentan-1-one;hydrochloride
CID 119743528
2-amino-1-(4-ethylazepan-1-yl)-2-methylpentan-1-one;hydrochloride
CID 119794919
2-amino-2-methyl-1-(4-methyl-1,4-diazepan-1-yl)pentan-1-one
CID 60848035
2-amino-1-(4-tert-butylazepan-1-yl)-2-methylpentan-1-one;hydrochloride
CID 119787781
2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one
CID 60848400
2-amino-2-methyl-1-(3-methylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 119671353
2-amino-2-methyl-1-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]pentan-1-one
CID 119738915
2-amino-1-(4-ethylpiperazin-1-yl)-2-methylpentan-1-one;dihydrochloride
CID 119826659
1-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride
CID 119750510
2-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylpentan-1-one
CID 113357324
2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-2-methylpropanenitrile
CID 60692896
2-amino-2-methyl-1-(3-propylpyrrolidin-1-yl)pentan-1-one
CID 115739383

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-2-methylpentan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-2-methylpentan-1-one;hydrochloride (CID 119710551) is 2-amino-1-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-2-methylpentan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-2-methylpentan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-2-methylpentan-1-one;hydrochloride is CCCC(C)(N)C(=O)N1CCCN(C(=O)CC2CCCC2)CC1.Cl.
What is the InChIKey of 2-amino-1-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-2-methylpentan-1-one;hydrochloride?
The InChIKey is DGJDNZGQCSAHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2.ClH/c1-3-9-18(2,19)17(23)21-11-6-10-20(12-13-21)16(22)14-15-7-4-5-8-15;/h15H,3-14,19H2,1-2H3;1H.
What are the key properties of 2-amino-1-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-2-methylpentan-1-one;hydrochloride?
2-amino-1-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-2-methylpentan-1-one;hydrochloride has a molecular weight of 359.94 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-2-methylpentan-1-one;hydrochloride is sourced from PubChem (CID 119710551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).