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

C11H20N2 — CID 79508007

IUPACN-(3-methylcyclohexyl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESCC1CCCC(NC2=NCCC2)C1
InChIInChI=1S/C11H20N2/c1-9-4-2-5-10(8-9)13-11-6-3-7-12-11/h9-10H,2-8H2,1H3,(H,12,13)
InChIKeyJKTRSDQUSQRYLW-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.35
Rot. Bonds1

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

N-(3-methylcyclohexyl)-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 79508007) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N-(3-methylcyclohexyl)-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-(3-methylcyclohexyl)-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID79508007
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN-(3-methylcyclohexyl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESCC1CCCC(NC2=NCCC2)C1
InChIInChI=1S/C11H20N2/c1-9-4-2-5-10(8-9)13-11-6-3-7-12-11/h9-10H,2-8H2,1H3,(H,12,13)
InChIKeyJKTRSDQUSQRYLW-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-methylcyclohexyl)-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-(3-methylcyclohexyl)-3,4-dihydro-2H-pyrrol-5-amine (CID 79508007) is N-(3-methylcyclohexyl)-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-(3-methylcyclohexyl)-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-(3-methylcyclohexyl)-3,4-dihydro-2H-pyrrol-5-amine is CC1CCCC(NC2=NCCC2)C1.
What is the InChIKey of N-(3-methylcyclohexyl)-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is JKTRSDQUSQRYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-9-4-2-5-10(8-9)13-11-6-3-7-12-11/h9-10H,2-8H2,1H3,(H,12,13).
What are the key properties of N-(3-methylcyclohexyl)-3,4-dihydro-2H-pyrrol-5-amine?
N-(3-methylcyclohexyl)-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-methylcyclohexyl)-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 79508007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).