N-[2-(3-methylpyrrolidin-3-yl)ethyl]-2-phenylcyclopropan-1-amine

C16H24N2 — CID 175197217

IUPACN-[2-(3-methylpyrrolidin-3-yl)ethyl]-2-phenylcyclopropan-1-amine
SMILESCC1(CCNC2CC2c2ccccc2)CCNC1
InChIInChI=1S/C16H24N2/c1-16(7-9-17-12-16)8-10-18-15-11-14(15)13-5-3-2-4-6-13/h2-6,14-15,17-18H,7-12H2,1H3
InChIKeyUJNBGHBNHKPOKM-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.52
Rot. Bonds5

About N-[2-(3-methylpyrrolidin-3-yl)ethyl]-2-phenylcyclopropan-1-amine

N-[2-(3-methylpyrrolidin-3-yl)ethyl]-2-phenylcyclopropan-1-amine (PubChem CID 175197217) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-[2-(3-methylpyrrolidin-3-yl)ethyl]-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[2-(3-methylpyrrolidin-3-yl)ethyl]-2-phenylcyclopropan-1-amine
PubChem CID175197217
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-[2-(3-methylpyrrolidin-3-yl)ethyl]-2-phenylcyclopropan-1-amine
SMILESCC1(CCNC2CC2c2ccccc2)CCNC1
InChIInChI=1S/C16H24N2/c1-16(7-9-17-12-16)8-10-18-15-11-14(15)13-5-3-2-4-6-13/h2-6,14-15,17-18H,7-12H2,1H3
InChIKeyUJNBGHBNHKPOKM-UHFFFAOYSA-N
XLogP2.52
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylpyrrolidin-3-yl)ethyl]-2-phenylcyclopropan-1-amine?
The IUPAC name of N-[2-(3-methylpyrrolidin-3-yl)ethyl]-2-phenylcyclopropan-1-amine (CID 175197217) is N-[2-(3-methylpyrrolidin-3-yl)ethyl]-2-phenylcyclopropan-1-amine.
What is the SMILES notation for N-[2-(3-methylpyrrolidin-3-yl)ethyl]-2-phenylcyclopropan-1-amine?
The canonical SMILES for N-[2-(3-methylpyrrolidin-3-yl)ethyl]-2-phenylcyclopropan-1-amine is CC1(CCNC2CC2c2ccccc2)CCNC1.
What is the InChIKey of N-[2-(3-methylpyrrolidin-3-yl)ethyl]-2-phenylcyclopropan-1-amine?
The InChIKey is UJNBGHBNHKPOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-16(7-9-17-12-16)8-10-18-15-11-14(15)13-5-3-2-4-6-13/h2-6,14-15,17-18H,7-12H2,1H3.
What are the key properties of N-[2-(3-methylpyrrolidin-3-yl)ethyl]-2-phenylcyclopropan-1-amine?
N-[2-(3-methylpyrrolidin-3-yl)ethyl]-2-phenylcyclopropan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylpyrrolidin-3-yl)ethyl]-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 175197217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).