N-(3,3-dimethylcyclopentyl)-3,4-dihydro-2H-pyrrol-5-amine

C11H20N2 — CID 114545949

IUPACN-(3,3-dimethylcyclopentyl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESCC1(C)CCC(NC2=NCCC2)C1
InChIInChI=1S/C11H20N2/c1-11(2)6-5-9(8-11)13-10-4-3-7-12-10/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyGTVXIENQARRHME-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.35
Rot. Bonds1

About N-(3,3-dimethylcyclopentyl)-3,4-dihydro-2H-pyrrol-5-amine

N-(3,3-dimethylcyclopentyl)-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 114545949) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID114545949
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN-(3,3-dimethylcyclopentyl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESCC1(C)CCC(NC2=NCCC2)C1
InChIInChI=1S/C11H20N2/c1-11(2)6-5-9(8-11)13-10-4-3-7-12-10/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyGTVXIENQARRHME-UHFFFAOYSA-N
XLogP2.35
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-3,4-dihydro-2H-pyrrol-5-amine (CID 114545949) is N-(3,3-dimethylcyclopentyl)-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-3,4-dihydro-2H-pyrrol-5-amine is CC1(C)CCC(NC2=NCCC2)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is GTVXIENQARRHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-11(2)6-5-9(8-11)13-10-4-3-7-12-10/h9H,3-8H2,1-2H3,(H,12,13).
What are the key properties of N-(3,3-dimethylcyclopentyl)-3,4-dihydro-2H-pyrrol-5-amine?
N-(3,3-dimethylcyclopentyl)-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 180.29 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 114545949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).