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

C12H24N2O — CID 107174465

IUPACN-(3-aminopropyl)-N,2,2-trimethylcyclopentane-1-carboxamide
SMILESCN(CCCN)C(=O)C1CCCC1(C)C
InChIInChI=1S/C12H24N2O/c1-12(2)7-4-6-10(12)11(15)14(3)9-5-8-13/h10H,4-9,13H2,1-3H3
InChIKeyDFVYWQANNPKCOM-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.62
Rot. Bonds4

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

N-(3-aminopropyl)-N,2,2-trimethylcyclopentane-1-carboxamide (PubChem CID 107174465) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-(3-aminopropyl)-N,2,2-trimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N,2,2-trimethylcyclopentane-1-carboxamide
PubChem CID107174465
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-(3-aminopropyl)-N,2,2-trimethylcyclopentane-1-carboxamide
SMILESCN(CCCN)C(=O)C1CCCC1(C)C
InChIInChI=1S/C12H24N2O/c1-12(2)7-4-6-10(12)11(15)14(3)9-5-8-13/h10H,4-9,13H2,1-3H3
InChIKeyDFVYWQANNPKCOM-UHFFFAOYSA-N
XLogP1.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.62
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,2,2-trimethylcyclopentane-1-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N,2,2-trimethylcyclopentane-1-carboxamide (CID 107174465) is N-(3-aminopropyl)-N,2,2-trimethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N,2,2-trimethylcyclopentane-1-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N,2,2-trimethylcyclopentane-1-carboxamide is CN(CCCN)C(=O)C1CCCC1(C)C.
What is the InChIKey of N-(3-aminopropyl)-N,2,2-trimethylcyclopentane-1-carboxamide?
The InChIKey is DFVYWQANNPKCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-12(2)7-4-6-10(12)11(15)14(3)9-5-8-13/h10H,4-9,13H2,1-3H3.
What are the key properties of N-(3-aminopropyl)-N,2,2-trimethylcyclopentane-1-carboxamide?
N-(3-aminopropyl)-N,2,2-trimethylcyclopentane-1-carboxamide has a molecular weight of 212.34 g/mol, XLogP of 1.62, 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,2,2-trimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 107174465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).