1,7,7-trimethyl-N-(1H-pyrrol-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine

C15H24N2 — CID 66408508

IUPAC1,7,7-trimethyl-N-(1H-pyrrol-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC1(C)C2CCC1(C)C(NCc1cc[nH]c1)C2
InChIInChI=1S/C15H24N2/c1-14(2)12-4-6-15(14,3)13(8-12)17-10-11-5-7-16-9-11/h5,7,9,12-13,16-17H,4,6,8,10H2,1-3H3
InChIKeyFAGUNSDIKPURCS-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.32
Rot. Bonds3

About 1,7,7-trimethyl-N-(1H-pyrrol-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine

1,7,7-trimethyl-N-(1H-pyrrol-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 66408508) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1,7,7-trimethyl-N-(1H-pyrrol-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name1,7,7-trimethyl-N-(1H-pyrrol-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID66408508
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1,7,7-trimethyl-N-(1H-pyrrol-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC1(C)C2CCC1(C)C(NCc1cc[nH]c1)C2
InChIInChI=1S/C15H24N2/c1-14(2)12-4-6-15(14,3)13(8-12)17-10-11-5-7-16-9-11/h5,7,9,12-13,16-17H,4,6,8,10H2,1-3H3
InChIKeyFAGUNSDIKPURCS-UHFFFAOYSA-N
XLogP3.32
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethyl-N-(1H-pyrrol-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 1,7,7-trimethyl-N-(1H-pyrrol-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine (CID 66408508) is 1,7,7-trimethyl-N-(1H-pyrrol-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 1,7,7-trimethyl-N-(1H-pyrrol-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 1,7,7-trimethyl-N-(1H-pyrrol-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine is CC1(C)C2CCC1(C)C(NCc1cc[nH]c1)C2.
What is the InChIKey of 1,7,7-trimethyl-N-(1H-pyrrol-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is FAGUNSDIKPURCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-14(2)12-4-6-15(14,3)13(8-12)17-10-11-5-7-16-9-11/h5,7,9,12-13,16-17H,4,6,8,10H2,1-3H3.
What are the key properties of 1,7,7-trimethyl-N-(1H-pyrrol-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine?
1,7,7-trimethyl-N-(1H-pyrrol-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 232.37 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethyl-N-(1H-pyrrol-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 66408508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).