N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(1-cyclopropylpyrrolidin-3-yl)methanamine

C16H26N2 — CID 60857125

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(1-cyclopropylpyrrolidin-3-yl)methanamine
SMILESC1=CC2CC1CC2CNCC1CCN(C2CC2)C1
InChIInChI=1S/C16H26N2/c1-2-14-7-12(1)8-15(14)10-17-9-13-5-6-18(11-13)16-3-4-16/h1-2,12-17H,3-11H2
InChIKeyLQSIIFPTNQXDEW-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.27
Rot. Bonds5

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(1-cyclopropylpyrrolidin-3-yl)methanamine

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(1-cyclopropylpyrrolidin-3-yl)methanamine (PubChem CID 60857125) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(1-cyclopropylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(1-cyclopropylpyrrolidin-3-yl)methanamine
PubChem CID60857125
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(1-cyclopropylpyrrolidin-3-yl)methanamine
SMILESC1=CC2CC1CC2CNCC1CCN(C2CC2)C1
InChIInChI=1S/C16H26N2/c1-2-14-7-12(1)8-15(14)10-17-9-13-5-6-18(11-13)16-3-4-16/h1-2,12-17H,3-11H2
InChIKeyLQSIIFPTNQXDEW-UHFFFAOYSA-N
XLogP2.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(1-cyclopropylpyrrolidin-3-yl)methanamine?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(1-cyclopropylpyrrolidin-3-yl)methanamine (CID 60857125) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(1-cyclopropylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(1-cyclopropylpyrrolidin-3-yl)methanamine?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(1-cyclopropylpyrrolidin-3-yl)methanamine is C1=CC2CC1CC2CNCC1CCN(C2CC2)C1.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(1-cyclopropylpyrrolidin-3-yl)methanamine?
The InChIKey is LQSIIFPTNQXDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-2-14-7-12(1)8-15(14)10-17-9-13-5-6-18(11-13)16-3-4-16/h1-2,12-17H,3-11H2.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(1-cyclopropylpyrrolidin-3-yl)methanamine?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(1-cyclopropylpyrrolidin-3-yl)methanamine has a molecular weight of 246.40 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(1-cyclopropylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 60857125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).