N-[(1R)-1-cyclohexylethyl]-3,4-dihydro-2H-pyrrol-5-amine

C12H22N2 — CID 81385779

IUPACN-[(1R)-1-cyclohexylethyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESC[C@@H](NC1=NCCC1)C1CCCCC1
InChIInChI=1S/C12H22N2/c1-10(11-6-3-2-4-7-11)14-12-8-5-9-13-12/h10-11H,2-9H2,1H3,(H,13,14)/t10-/m1/s1
InChIKeyIVTLERBBURLLOA-SNVBAGLBSA-N
MW194.32 g/mol
LogP2.74
Rot. Bonds2

About N-[(1R)-1-cyclohexylethyl]-3,4-dihydro-2H-pyrrol-5-amine

N-[(1R)-1-cyclohexylethyl]-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 81385779) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-[(1R)-1-cyclohexylethyl]-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-[(1R)-1-cyclohexylethyl]-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID81385779
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-[(1R)-1-cyclohexylethyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESC[C@@H](NC1=NCCC1)C1CCCCC1
InChIInChI=1S/C12H22N2/c1-10(11-6-3-2-4-7-11)14-12-8-5-9-13-12/h10-11H,2-9H2,1H3,(H,13,14)/t10-/m1/s1
InChIKeyIVTLERBBURLLOA-SNVBAGLBSA-N
XLogP2.74
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclohexylethyl]-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-[(1R)-1-cyclohexylethyl]-3,4-dihydro-2H-pyrrol-5-amine (CID 81385779) is N-[(1R)-1-cyclohexylethyl]-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-[(1R)-1-cyclohexylethyl]-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-[(1R)-1-cyclohexylethyl]-3,4-dihydro-2H-pyrrol-5-amine is C[C@@H](NC1=NCCC1)C1CCCCC1.
What is the InChIKey of N-[(1R)-1-cyclohexylethyl]-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is IVTLERBBURLLOA-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H22N2/c1-10(11-6-3-2-4-7-11)14-12-8-5-9-13-12/h10-11H,2-9H2,1H3,(H,13,14)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-cyclohexylethyl]-3,4-dihydro-2H-pyrrol-5-amine?
N-[(1R)-1-cyclohexylethyl]-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 194.32 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclohexylethyl]-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 81385779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).