3-(3-methyl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl)propan-1-amine

C14H18N2 — CID 3737960

IUPAC3-(3-methyl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl)propan-1-amine
SMILESCc1c(CCCN)c2cccc3c2n1CC3
InChIInChI=1S/C14H18N2/c1-10-12(6-3-8-15)13-5-2-4-11-7-9-16(10)14(11)13/h2,4-5H,3,6-9,15H2,1H3
InChIKeyINJXDOUPTDVAGP-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.40
Rot. Bonds3

About 3-(3-methyl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl)propan-1-amine

3-(3-methyl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl)propan-1-amine (PubChem CID 3737960) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-(3-methyl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3-methyl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl)propan-1-amine
PubChem CID3737960
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name3-(3-methyl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl)propan-1-amine
SMILESCc1c(CCCN)c2cccc3c2n1CC3
InChIInChI=1S/C14H18N2/c1-10-12(6-3-8-15)13-5-2-4-11-7-9-16(10)14(11)13/h2,4-5H,3,6-9,15H2,1H3
InChIKeyINJXDOUPTDVAGP-UHFFFAOYSA-N
XLogP2.40
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl)propan-1-amine?
The IUPAC name of 3-(3-methyl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl)propan-1-amine (CID 3737960) is 3-(3-methyl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl)propan-1-amine.
What is the SMILES notation for 3-(3-methyl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl)propan-1-amine?
The canonical SMILES for 3-(3-methyl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl)propan-1-amine is Cc1c(CCCN)c2cccc3c2n1CC3.
What is the InChIKey of 3-(3-methyl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl)propan-1-amine?
The InChIKey is INJXDOUPTDVAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-10-12(6-3-8-15)13-5-2-4-11-7-9-16(10)14(11)13/h2,4-5H,3,6-9,15H2,1H3.
What are the key properties of 3-(3-methyl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl)propan-1-amine?
3-(3-methyl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl)propan-1-amine has a molecular weight of 214.31 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl)propan-1-amine is sourced from PubChem (CID 3737960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).