N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide

C17H33N7O — CID 25367628

IUPACN-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide
SMILESCC(C)N(C)Cc1nnnn1CC(=O)N(CCN(C)C)C1CCCC1
InChIInChI=1S/C17H33N7O/c1-14(2)22(5)12-16-18-19-20-24(16)13-17(25)23(11-10-21(3)4)15-8-6-7-9-15/h14-15H,6-13H2,1-5H3
InChIKeyREFNGOKKPSCCTG-UHFFFAOYSA-N
MW351.50 g/mol
LogP0.85
Rot. Bonds9

About N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide

N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide (PubChem CID 25367628) has the molecular formula C17H33N7O and a molecular weight of 351.50 g/mol. Its IUPAC name is N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide
PubChem CID25367628
Molecular FormulaC17H33N7O
Molecular Weight351.50 g/mol
Exact Mass351.27
IUPAC NameN-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide
SMILESCC(C)N(C)Cc1nnnn1CC(=O)N(CCN(C)C)C1CCCC1
InChIInChI=1S/C17H33N7O/c1-14(2)22(5)12-16-18-19-20-24(16)13-17(25)23(11-10-21(3)4)15-8-6-7-9-15/h14-15H,6-13H2,1-5H3
InChIKeyREFNGOKKPSCCTG-UHFFFAOYSA-N
XLogP0.85
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide?
The IUPAC name of N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide (CID 25367628) is N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide?
The canonical SMILES for N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide is CC(C)N(C)Cc1nnnn1CC(=O)N(CCN(C)C)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide?
The InChIKey is REFNGOKKPSCCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N7O/c1-14(2)22(5)12-16-18-19-20-24(16)13-17(25)23(11-10-21(3)4)15-8-6-7-9-15/h14-15H,6-13H2,1-5H3.
What are the key properties of N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide?
N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide has a molecular weight of 351.50 g/mol, XLogP of 0.85, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide is sourced from PubChem (CID 25367628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).