1-[(1R)-cyclohexa-2,4-dien-1-yl]-2-pyrrolidin-1-ylethanamine

C12H20N2 — CID 70334323

IUPAC1-[(1R)-cyclohexa-2,4-dien-1-yl]-2-pyrrolidin-1-ylethanamine
SMILESNC(CN1CCCC1)[C@H]1C=CC=CC1
InChIInChI=1S/C12H20N2/c13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11/h1-3,6,11-12H,4-5,7-10,13H2/t11-,12?/m0/s1
InChIKeyXFQSTXXSPIUYEO-PXYINDEMSA-N
MW192.31 g/mol
LogP1.54
Rot. Bonds3

About 1-[(1R)-cyclohexa-2,4-dien-1-yl]-2-pyrrolidin-1-ylethanamine

1-[(1R)-cyclohexa-2,4-dien-1-yl]-2-pyrrolidin-1-ylethanamine (PubChem CID 70334323) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-[(1R)-cyclohexa-2,4-dien-1-yl]-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound Name1-[(1R)-cyclohexa-2,4-dien-1-yl]-2-pyrrolidin-1-ylethanamine
PubChem CID70334323
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-[(1R)-cyclohexa-2,4-dien-1-yl]-2-pyrrolidin-1-ylethanamine
SMILESNC(CN1CCCC1)[C@H]1C=CC=CC1
InChIInChI=1S/C12H20N2/c13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11/h1-3,6,11-12H,4-5,7-10,13H2/t11-,12?/m0/s1
InChIKeyXFQSTXXSPIUYEO-PXYINDEMSA-N
XLogP1.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-cyclohexa-2,4-dien-1-yl]-2-pyrrolidin-1-ylethanamine?
The IUPAC name of 1-[(1R)-cyclohexa-2,4-dien-1-yl]-2-pyrrolidin-1-ylethanamine (CID 70334323) is 1-[(1R)-cyclohexa-2,4-dien-1-yl]-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for 1-[(1R)-cyclohexa-2,4-dien-1-yl]-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for 1-[(1R)-cyclohexa-2,4-dien-1-yl]-2-pyrrolidin-1-ylethanamine is NC(CN1CCCC1)[C@H]1C=CC=CC1.
What is the InChIKey of 1-[(1R)-cyclohexa-2,4-dien-1-yl]-2-pyrrolidin-1-ylethanamine?
The InChIKey is XFQSTXXSPIUYEO-PXYINDEMSA-N. The full InChI is InChI=1S/C12H20N2/c13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11/h1-3,6,11-12H,4-5,7-10,13H2/t11-,12?/m0/s1.
What are the key properties of 1-[(1R)-cyclohexa-2,4-dien-1-yl]-2-pyrrolidin-1-ylethanamine?
1-[(1R)-cyclohexa-2,4-dien-1-yl]-2-pyrrolidin-1-ylethanamine has a molecular weight of 192.31 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-cyclohexa-2,4-dien-1-yl]-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 70334323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).