N-(3-aminopropyl)-N,2-dimethylcyclopentane-1-carboxamide

C11H22N2O — CID 107174467

IUPACN-(3-aminopropyl)-N,2-dimethylcyclopentane-1-carboxamide
SMILESCC1CCCC1C(=O)N(C)CCCN
InChIInChI=1S/C11H22N2O/c1-9-5-3-6-10(9)11(14)13(2)8-4-7-12/h9-10H,3-8,12H2,1-2H3
InChIKeyHVFODPAARHINBA-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.23
Rot. Bonds4

About N-(3-aminopropyl)-N,2-dimethylcyclopentane-1-carboxamide

N-(3-aminopropyl)-N,2-dimethylcyclopentane-1-carboxamide (PubChem CID 107174467) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-(3-aminopropyl)-N,2-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N,2-dimethylcyclopentane-1-carboxamide
PubChem CID107174467
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-(3-aminopropyl)-N,2-dimethylcyclopentane-1-carboxamide
SMILESCC1CCCC1C(=O)N(C)CCCN
InChIInChI=1S/C11H22N2O/c1-9-5-3-6-10(9)11(14)13(2)8-4-7-12/h9-10H,3-8,12H2,1-2H3
InChIKeyHVFODPAARHINBA-UHFFFAOYSA-N
XLogP1.23
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N,2-dimethylcyclopentane-1-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N,2-dimethylcyclopentane-1-carboxamide (CID 107174467) is N-(3-aminopropyl)-N,2-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N,2-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N,2-dimethylcyclopentane-1-carboxamide is CC1CCCC1C(=O)N(C)CCCN.
What is the InChIKey of N-(3-aminopropyl)-N,2-dimethylcyclopentane-1-carboxamide?
The InChIKey is HVFODPAARHINBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9-5-3-6-10(9)11(14)13(2)8-4-7-12/h9-10H,3-8,12H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-N,2-dimethylcyclopentane-1-carboxamide?
N-(3-aminopropyl)-N,2-dimethylcyclopentane-1-carboxamide has a molecular weight of 198.31 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N,2-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 107174467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).