N-[(5-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl)methyl]propan-2-amine

C13H26N2O — CID 58904753

IUPACN-[(5-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl)methyl]propan-2-amine
SMILESCC(C)NCC12COCC1CN(C(C)C)C2
InChIInChI=1S/C13H26N2O/c1-10(2)14-7-13-8-15(11(3)4)5-12(13)6-16-9-13/h10-12,14H,5-9H2,1-4H3
InChIKeyHHJFQEVNHWROTB-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.34
Rot. Bonds4

About N-[(5-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl)methyl]propan-2-amine

N-[(5-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl)methyl]propan-2-amine (PubChem CID 58904753) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[(5-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(5-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl)methyl]propan-2-amine
PubChem CID58904753
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[(5-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl)methyl]propan-2-amine
SMILESCC(C)NCC12COCC1CN(C(C)C)C2
InChIInChI=1S/C13H26N2O/c1-10(2)14-7-13-8-15(11(3)4)5-12(13)6-16-9-13/h10-12,14H,5-9H2,1-4H3
InChIKeyHHJFQEVNHWROTB-UHFFFAOYSA-N
XLogP1.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl)methyl]propan-2-amine?
The IUPAC name of N-[(5-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl)methyl]propan-2-amine (CID 58904753) is N-[(5-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(5-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(5-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl)methyl]propan-2-amine is CC(C)NCC12COCC1CN(C(C)C)C2.
What is the InChIKey of N-[(5-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl)methyl]propan-2-amine?
The InChIKey is HHJFQEVNHWROTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10(2)14-7-13-8-15(11(3)4)5-12(13)6-16-9-13/h10-12,14H,5-9H2,1-4H3.
What are the key properties of N-[(5-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl)methyl]propan-2-amine?
N-[(5-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl)methyl]propan-2-amine has a molecular weight of 226.36 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl)methyl]propan-2-amine is sourced from PubChem (CID 58904753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).