phenyl-(1-pyrrolidin-1-ylcyclopropyl)methanamine

C14H20N2 — CID 59197912

IUPACphenyl-(1-pyrrolidin-1-ylcyclopropyl)methanamine
SMILESNC(c1ccccc1)C1(N2CCCC2)CC1
InChIInChI=1S/C14H20N2/c15-13(12-6-2-1-3-7-12)14(8-9-14)16-10-4-5-11-16/h1-3,6-7,13H,4-5,8-11,15H2
InChIKeyDFILPQUBULSOJS-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.31
Rot. Bonds3

About phenyl-(1-pyrrolidin-1-ylcyclopropyl)methanamine

phenyl-(1-pyrrolidin-1-ylcyclopropyl)methanamine (PubChem CID 59197912) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is phenyl-(1-pyrrolidin-1-ylcyclopropyl)methanamine.

Molecular Properties

Compound Namephenyl-(1-pyrrolidin-1-ylcyclopropyl)methanamine
PubChem CID59197912
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Namephenyl-(1-pyrrolidin-1-ylcyclopropyl)methanamine
SMILESNC(c1ccccc1)C1(N2CCCC2)CC1
InChIInChI=1S/C14H20N2/c15-13(12-6-2-1-3-7-12)14(8-9-14)16-10-4-5-11-16/h1-3,6-7,13H,4-5,8-11,15H2
InChIKeyDFILPQUBULSOJS-UHFFFAOYSA-N
XLogP2.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of phenyl-(1-pyrrolidin-1-ylcyclopropyl)methanamine?
The IUPAC name of phenyl-(1-pyrrolidin-1-ylcyclopropyl)methanamine (CID 59197912) is phenyl-(1-pyrrolidin-1-ylcyclopropyl)methanamine.
What is the SMILES notation for phenyl-(1-pyrrolidin-1-ylcyclopropyl)methanamine?
The canonical SMILES for phenyl-(1-pyrrolidin-1-ylcyclopropyl)methanamine is NC(c1ccccc1)C1(N2CCCC2)CC1.
What is the InChIKey of phenyl-(1-pyrrolidin-1-ylcyclopropyl)methanamine?
The InChIKey is DFILPQUBULSOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c15-13(12-6-2-1-3-7-12)14(8-9-14)16-10-4-5-11-16/h1-3,6-7,13H,4-5,8-11,15H2.
What are the key properties of phenyl-(1-pyrrolidin-1-ylcyclopropyl)methanamine?
phenyl-(1-pyrrolidin-1-ylcyclopropyl)methanamine has a molecular weight of 216.33 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(1-pyrrolidin-1-ylcyclopropyl)methanamine is sourced from PubChem (CID 59197912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).