1-cyclopropyl-N-methyl-1-[1-[(5-methyloxolan-2-yl)methyl]pyrrol-3-yl]methanamine

C15H24N2O — CID 103136355

IUPAC1-cyclopropyl-N-methyl-1-[1-[(5-methyloxolan-2-yl)methyl]pyrrol-3-yl]methanamine
SMILESCNC(c1ccn(CC2CCC(C)O2)c1)C1CC1
InChIInChI=1S/C15H24N2O/c1-11-3-6-14(18-11)10-17-8-7-13(9-17)15(16-2)12-4-5-12/h7-9,11-12,14-16H,3-6,10H2,1-2H3
InChIKeyHQDZRTHQDAPZES-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.73
Rot. Bonds5

About 1-cyclopropyl-N-methyl-1-[1-[(5-methyloxolan-2-yl)methyl]pyrrol-3-yl]methanamine

1-cyclopropyl-N-methyl-1-[1-[(5-methyloxolan-2-yl)methyl]pyrrol-3-yl]methanamine (PubChem CID 103136355) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-1-[1-[(5-methyloxolan-2-yl)methyl]pyrrol-3-yl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-1-[1-[(5-methyloxolan-2-yl)methyl]pyrrol-3-yl]methanamine
PubChem CID103136355
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-cyclopropyl-N-methyl-1-[1-[(5-methyloxolan-2-yl)methyl]pyrrol-3-yl]methanamine
SMILESCNC(c1ccn(CC2CCC(C)O2)c1)C1CC1
InChIInChI=1S/C15H24N2O/c1-11-3-6-14(18-11)10-17-8-7-13(9-17)15(16-2)12-4-5-12/h7-9,11-12,14-16H,3-6,10H2,1-2H3
InChIKeyHQDZRTHQDAPZES-UHFFFAOYSA-N
XLogP2.73
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-1-[1-[(5-methyloxolan-2-yl)methyl]pyrrol-3-yl]methanamine?
The IUPAC name of 1-cyclopropyl-N-methyl-1-[1-[(5-methyloxolan-2-yl)methyl]pyrrol-3-yl]methanamine (CID 103136355) is 1-cyclopropyl-N-methyl-1-[1-[(5-methyloxolan-2-yl)methyl]pyrrol-3-yl]methanamine.
What is the SMILES notation for 1-cyclopropyl-N-methyl-1-[1-[(5-methyloxolan-2-yl)methyl]pyrrol-3-yl]methanamine?
The canonical SMILES for 1-cyclopropyl-N-methyl-1-[1-[(5-methyloxolan-2-yl)methyl]pyrrol-3-yl]methanamine is CNC(c1ccn(CC2CCC(C)O2)c1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-methyl-1-[1-[(5-methyloxolan-2-yl)methyl]pyrrol-3-yl]methanamine?
The InChIKey is HQDZRTHQDAPZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-3-6-14(18-11)10-17-8-7-13(9-17)15(16-2)12-4-5-12/h7-9,11-12,14-16H,3-6,10H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-methyl-1-[1-[(5-methyloxolan-2-yl)methyl]pyrrol-3-yl]methanamine?
1-cyclopropyl-N-methyl-1-[1-[(5-methyloxolan-2-yl)methyl]pyrrol-3-yl]methanamine has a molecular weight of 248.37 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-1-[1-[(5-methyloxolan-2-yl)methyl]pyrrol-3-yl]methanamine is sourced from PubChem (CID 103136355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).