N-(8-azabicyclo[3.2.1]octan-3-yl)-N'-propan-2-ylpentanediamide;hydrochloride

C15H28ClN3O2 — CID 119456671

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-N'-propan-2-ylpentanediamide;hydrochloride
SMILESCC(C)NC(=O)CCCC(=O)NC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C15H27N3O2.ClH/c1-10(2)16-14(19)4-3-5-15(20)18-13-8-11-6-7-12(9-13)17-11;/h10-13,17H,3-9H2,1-2H3,(H,16,19)(H,18,20);1H
InChIKeyVEHQAGKIZVMDNU-UHFFFAOYSA-N
MW317.86 g/mol
LogP1.50
Rot. Bonds6

About N-(8-azabicyclo[3.2.1]octan-3-yl)-N'-propan-2-ylpentanediamide;hydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-N'-propan-2-ylpentanediamide;hydrochloride (PubChem CID 119456671) has the molecular formula C15H28ClN3O2 and a molecular weight of 317.86 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-N'-propan-2-ylpentanediamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N'-propan-2-ylpentanediamide;hydrochloride
PubChem CID119456671
Molecular FormulaC15H28ClN3O2
Molecular Weight317.86 g/mol
Exact Mass317.19
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N'-propan-2-ylpentanediamide;hydrochloride
SMILESCC(C)NC(=O)CCCC(=O)NC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C15H27N3O2.ClH/c1-10(2)16-14(19)4-3-5-15(20)18-13-8-11-6-7-12(9-13)17-11;/h10-13,17H,3-9H2,1-2H3,(H,16,19)(H,18,20);1H
InChIKeyVEHQAGKIZVMDNU-UHFFFAOYSA-N
XLogP1.50
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N'-propan-2-yl-N-pyrrolidin-3-ylpentanediamide;hydrochloride
CID 119451129
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methylbutanamide;hydrochloride
CID 119457462
N-(8-azabicyclo[3.2.1]octan-3-yl)butanamide
CID 61233297
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dimethylpentanamide;hydrochloride
CID 119459568
N-(8-azabicyclo[3.2.1]octan-3-yl)hex-5-enamide
CID 119459100
N-piperidin-3-yl-N'-propan-2-ylpentanediamide
CID 119425960
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methoxypropanamide
CID 62589135
N'-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylbutanediamide;hydrochloride
CID 119458518
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4,4-trimethylpentanamide;hydrochloride
CID 119455472
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,3-dimethylbutanamide;hydrochloride
CID 119455659
(2S)-N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[(2-methoxyacetyl)amino]-3-methylbutanamide;hydrochloride
CID 119457328
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-2-(3-methylbutanoylamino)butanamide;hydrochloride
CID 119459369

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N'-propan-2-ylpentanediamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N'-propan-2-ylpentanediamide;hydrochloride (CID 119456671) is N-(8-azabicyclo[3.2.1]octan-3-yl)-N'-propan-2-ylpentanediamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-N'-propan-2-ylpentanediamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-N'-propan-2-ylpentanediamide;hydrochloride is CC(C)NC(=O)CCCC(=O)NC1CC2CCC(C1)N2.Cl.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-N'-propan-2-ylpentanediamide;hydrochloride?
The InChIKey is VEHQAGKIZVMDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2.ClH/c1-10(2)16-14(19)4-3-5-15(20)18-13-8-11-6-7-12(9-13)17-11;/h10-13,17H,3-9H2,1-2H3,(H,16,19)(H,18,20);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-N'-propan-2-ylpentanediamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-N'-propan-2-ylpentanediamide;hydrochloride has a molecular weight of 317.86 g/mol, XLogP of 1.50, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-N'-propan-2-ylpentanediamide;hydrochloride is sourced from PubChem (CID 119456671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).