1-(1-cyclopropylpyrrolidin-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]methanamine

C17H26N2O — CID 60761364

IUPAC1-(1-cyclopropylpyrrolidin-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]methanamine
SMILESCC1CC1c1ccc(CNCC2CCN(C3CC3)C2)o1
InChIInChI=1S/C17H26N2O/c1-12-8-16(12)17-5-4-15(20-17)10-18-9-13-6-7-19(11-13)14-2-3-14/h4-5,12-14,16,18H,2-3,6-11H2,1H3
InChIKeyNJCWGRQVJMZOHF-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.98
Rot. Bonds6

About 1-(1-cyclopropylpyrrolidin-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]methanamine

1-(1-cyclopropylpyrrolidin-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]methanamine (PubChem CID 60761364) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(1-cyclopropylpyrrolidin-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(1-cyclopropylpyrrolidin-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]methanamine
PubChem CID60761364
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-(1-cyclopropylpyrrolidin-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]methanamine
SMILESCC1CC1c1ccc(CNCC2CCN(C3CC3)C2)o1
InChIInChI=1S/C17H26N2O/c1-12-8-16(12)17-5-4-15(20-17)10-18-9-13-6-7-19(11-13)14-2-3-14/h4-5,12-14,16,18H,2-3,6-11H2,1H3
InChIKeyNJCWGRQVJMZOHF-UHFFFAOYSA-N
XLogP2.98
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpyrrolidin-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]methanamine?
The IUPAC name of 1-(1-cyclopropylpyrrolidin-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]methanamine (CID 60761364) is 1-(1-cyclopropylpyrrolidin-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]methanamine.
What is the SMILES notation for 1-(1-cyclopropylpyrrolidin-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]methanamine?
The canonical SMILES for 1-(1-cyclopropylpyrrolidin-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]methanamine is CC1CC1c1ccc(CNCC2CCN(C3CC3)C2)o1.
What is the InChIKey of 1-(1-cyclopropylpyrrolidin-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]methanamine?
The InChIKey is NJCWGRQVJMZOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12-8-16(12)17-5-4-15(20-17)10-18-9-13-6-7-19(11-13)14-2-3-14/h4-5,12-14,16,18H,2-3,6-11H2,1H3.
What are the key properties of 1-(1-cyclopropylpyrrolidin-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]methanamine?
1-(1-cyclopropylpyrrolidin-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]methanamine has a molecular weight of 274.41 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpyrrolidin-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]methanamine is sourced from PubChem (CID 60761364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).