N-methyl-3-[3-[3-(methylamino)propyl]-2-bicyclo[2.2.1]hept-5-enyl]propan-1-amine

C15H28N2 — CID 139890009

IUPACN-methyl-3-[3-[3-(methylamino)propyl]-2-bicyclo[2.2.1]hept-5-enyl]propan-1-amine
SMILESCNCCCC1C2C=CC(C2)C1CCCNC
InChIInChI=1S/C15H28N2/c1-16-9-3-5-14-12-7-8-13(11-12)15(14)6-4-10-17-2/h7-8,12-17H,3-6,9-11H2,1-2H3
InChIKeyFBYPOBMJRPNBBL-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.42
Rot. Bonds8

About N-methyl-3-[3-[3-(methylamino)propyl]-2-bicyclo[2.2.1]hept-5-enyl]propan-1-amine

N-methyl-3-[3-[3-(methylamino)propyl]-2-bicyclo[2.2.1]hept-5-enyl]propan-1-amine (PubChem CID 139890009) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is N-methyl-3-[3-[3-(methylamino)propyl]-2-bicyclo[2.2.1]hept-5-enyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[3-[3-(methylamino)propyl]-2-bicyclo[2.2.1]hept-5-enyl]propan-1-amine
PubChem CID139890009
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC NameN-methyl-3-[3-[3-(methylamino)propyl]-2-bicyclo[2.2.1]hept-5-enyl]propan-1-amine
SMILESCNCCCC1C2C=CC(C2)C1CCCNC
InChIInChI=1S/C15H28N2/c1-16-9-3-5-14-12-7-8-13(11-12)15(14)6-4-10-17-2/h7-8,12-17H,3-6,9-11H2,1-2H3
InChIKeyFBYPOBMJRPNBBL-UHFFFAOYSA-N
XLogP2.42
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[3-[3-(methylamino)propyl]-2-bicyclo[2.2.1]hept-5-enyl]propan-1-amine?
The IUPAC name of N-methyl-3-[3-[3-(methylamino)propyl]-2-bicyclo[2.2.1]hept-5-enyl]propan-1-amine (CID 139890009) is N-methyl-3-[3-[3-(methylamino)propyl]-2-bicyclo[2.2.1]hept-5-enyl]propan-1-amine.
What is the SMILES notation for N-methyl-3-[3-[3-(methylamino)propyl]-2-bicyclo[2.2.1]hept-5-enyl]propan-1-amine?
The canonical SMILES for N-methyl-3-[3-[3-(methylamino)propyl]-2-bicyclo[2.2.1]hept-5-enyl]propan-1-amine is CNCCCC1C2C=CC(C2)C1CCCNC.
What is the InChIKey of N-methyl-3-[3-[3-(methylamino)propyl]-2-bicyclo[2.2.1]hept-5-enyl]propan-1-amine?
The InChIKey is FBYPOBMJRPNBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-16-9-3-5-14-12-7-8-13(11-12)15(14)6-4-10-17-2/h7-8,12-17H,3-6,9-11H2,1-2H3.
What are the key properties of N-methyl-3-[3-[3-(methylamino)propyl]-2-bicyclo[2.2.1]hept-5-enyl]propan-1-amine?
N-methyl-3-[3-[3-(methylamino)propyl]-2-bicyclo[2.2.1]hept-5-enyl]propan-1-amine has a molecular weight of 236.40 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[3-[3-(methylamino)propyl]-2-bicyclo[2.2.1]hept-5-enyl]propan-1-amine is sourced from PubChem (CID 139890009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).