N-(8-tricyclo[5.2.1.02,6]decanyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

C17H28N2 — CID 43752241

IUPACN-(8-tricyclo[5.2.1.02,6]decanyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESC1CC2C3CC(NC4CCN5CCCC45)C(C3)C2C1
InChIInChI=1S/C17H28N2/c1-3-12-11-9-14(13(12)4-1)16(10-11)18-15-6-8-19-7-2-5-17(15)19/h11-18H,1-10H2
InChIKeyUJXZOXFXXPHMJK-UHFFFAOYSA-N
MW260.42 g/mol
LogP2.64
Rot. Bonds2

About N-(8-tricyclo[5.2.1.02,6]decanyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

N-(8-tricyclo[5.2.1.02,6]decanyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (PubChem CID 43752241) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is N-(8-tricyclo[5.2.1.02,6]decanyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.

Molecular Properties

Compound NameN-(8-tricyclo[5.2.1.02,6]decanyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
PubChem CID43752241
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC NameN-(8-tricyclo[5.2.1.02,6]decanyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESC1CC2C3CC(NC4CCN5CCCC45)C(C3)C2C1
InChIInChI=1S/C17H28N2/c1-3-12-11-9-14(13(12)4-1)16(10-11)18-15-6-8-19-7-2-5-17(15)19/h11-18H,1-10H2
InChIKeyUJXZOXFXXPHMJK-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(8-tricyclo[5.2.1.02,6]decanyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The IUPAC name of N-(8-tricyclo[5.2.1.02,6]decanyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (CID 43752241) is N-(8-tricyclo[5.2.1.02,6]decanyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.
What is the SMILES notation for N-(8-tricyclo[5.2.1.02,6]decanyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The canonical SMILES for N-(8-tricyclo[5.2.1.02,6]decanyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is C1CC2C3CC(NC4CCN5CCCC45)C(C3)C2C1.
What is the InChIKey of N-(8-tricyclo[5.2.1.02,6]decanyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The InChIKey is UJXZOXFXXPHMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-12-11-9-14(13(12)4-1)16(10-11)18-15-6-8-19-7-2-5-17(15)19/h11-18H,1-10H2.
What are the key properties of N-(8-tricyclo[5.2.1.02,6]decanyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
N-(8-tricyclo[5.2.1.02,6]decanyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine has a molecular weight of 260.42 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-tricyclo[5.2.1.02,6]decanyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is sourced from PubChem (CID 43752241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).