1-(cyclohepta-1,3,5-trien-1-ylmethyl)pyrrolidin-3-amine

C12H18N2 — CID 142226757

IUPAC1-(cyclohepta-1,3,5-trien-1-ylmethyl)pyrrolidin-3-amine
SMILESNC1CCN(CC2=CC=CC=CC2)C1
InChIInChI=1S/C12H18N2/c13-12-7-8-14(10-12)9-11-5-3-1-2-4-6-11/h1-5,12H,6-10,13H2
InChIKeyIXUIYPZVBJRLKM-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.46
Rot. Bonds2

About 1-(cyclohepta-1,3,5-trien-1-ylmethyl)pyrrolidin-3-amine

1-(cyclohepta-1,3,5-trien-1-ylmethyl)pyrrolidin-3-amine (PubChem CID 142226757) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-(cyclohepta-1,3,5-trien-1-ylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(cyclohepta-1,3,5-trien-1-ylmethyl)pyrrolidin-3-amine
PubChem CID142226757
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name1-(cyclohepta-1,3,5-trien-1-ylmethyl)pyrrolidin-3-amine
SMILESNC1CCN(CC2=CC=CC=CC2)C1
InChIInChI=1S/C12H18N2/c13-12-7-8-14(10-12)9-11-5-3-1-2-4-6-11/h1-5,12H,6-10,13H2
InChIKeyIXUIYPZVBJRLKM-UHFFFAOYSA-N
XLogP1.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepta-1,3,5-trien-1-ylmethyl)pyrrolidin-3-amine?
The IUPAC name of 1-(cyclohepta-1,3,5-trien-1-ylmethyl)pyrrolidin-3-amine (CID 142226757) is 1-(cyclohepta-1,3,5-trien-1-ylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(cyclohepta-1,3,5-trien-1-ylmethyl)pyrrolidin-3-amine?
The canonical SMILES for 1-(cyclohepta-1,3,5-trien-1-ylmethyl)pyrrolidin-3-amine is NC1CCN(CC2=CC=CC=CC2)C1.
What is the InChIKey of 1-(cyclohepta-1,3,5-trien-1-ylmethyl)pyrrolidin-3-amine?
The InChIKey is IXUIYPZVBJRLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c13-12-7-8-14(10-12)9-11-5-3-1-2-4-6-11/h1-5,12H,6-10,13H2.
What are the key properties of 1-(cyclohepta-1,3,5-trien-1-ylmethyl)pyrrolidin-3-amine?
1-(cyclohepta-1,3,5-trien-1-ylmethyl)pyrrolidin-3-amine has a molecular weight of 190.29 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepta-1,3,5-trien-1-ylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 142226757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).