N-[2-[3-(aminomethyl)pyrrolidin-1-yl]ethyl]-N-methylcyclopropanamine

C11H23N3 — CID 62977792

IUPACN-[2-[3-(aminomethyl)pyrrolidin-1-yl]ethyl]-N-methylcyclopropanamine
SMILESCN(CCN1CCC(CN)C1)C1CC1
InChIInChI=1S/C11H23N3/c1-13(11-2-3-11)6-7-14-5-4-10(8-12)9-14/h10-11H,2-9,12H2,1H3
InChIKeyGBRFAGBACQJJCI-UHFFFAOYSA-N
MW197.33 g/mol
LogP0.36
Rot. Bonds5

About N-[2-[3-(aminomethyl)pyrrolidin-1-yl]ethyl]-N-methylcyclopropanamine

N-[2-[3-(aminomethyl)pyrrolidin-1-yl]ethyl]-N-methylcyclopropanamine (PubChem CID 62977792) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is N-[2-[3-(aminomethyl)pyrrolidin-1-yl]ethyl]-N-methylcyclopropanamine.

Molecular Properties

Compound NameN-[2-[3-(aminomethyl)pyrrolidin-1-yl]ethyl]-N-methylcyclopropanamine
PubChem CID62977792
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC NameN-[2-[3-(aminomethyl)pyrrolidin-1-yl]ethyl]-N-methylcyclopropanamine
SMILESCN(CCN1CCC(CN)C1)C1CC1
InChIInChI=1S/C11H23N3/c1-13(11-2-3-11)6-7-14-5-4-10(8-12)9-14/h10-11H,2-9,12H2,1H3
InChIKeyGBRFAGBACQJJCI-UHFFFAOYSA-N
XLogP0.36
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(aminomethyl)pyrrolidin-1-yl]ethyl]-N-methylcyclopropanamine?
The IUPAC name of N-[2-[3-(aminomethyl)pyrrolidin-1-yl]ethyl]-N-methylcyclopropanamine (CID 62977792) is N-[2-[3-(aminomethyl)pyrrolidin-1-yl]ethyl]-N-methylcyclopropanamine.
What is the SMILES notation for N-[2-[3-(aminomethyl)pyrrolidin-1-yl]ethyl]-N-methylcyclopropanamine?
The canonical SMILES for N-[2-[3-(aminomethyl)pyrrolidin-1-yl]ethyl]-N-methylcyclopropanamine is CN(CCN1CCC(CN)C1)C1CC1.
What is the InChIKey of N-[2-[3-(aminomethyl)pyrrolidin-1-yl]ethyl]-N-methylcyclopropanamine?
The InChIKey is GBRFAGBACQJJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-13(11-2-3-11)6-7-14-5-4-10(8-12)9-14/h10-11H,2-9,12H2,1H3.
What are the key properties of N-[2-[3-(aminomethyl)pyrrolidin-1-yl]ethyl]-N-methylcyclopropanamine?
N-[2-[3-(aminomethyl)pyrrolidin-1-yl]ethyl]-N-methylcyclopropanamine has a molecular weight of 197.33 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(aminomethyl)pyrrolidin-1-yl]ethyl]-N-methylcyclopropanamine is sourced from PubChem (CID 62977792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).