N-methyltricyclo[4.3.1.13,8]undecan-1-amine

C12H21N — CID 123976762

IUPACN-methyltricyclo[4.3.1.13,8]undecan-1-amine
SMILESCNC12CC3CCC(CC(C3)C1)C2
InChIInChI=1S/C12H21N/c1-13-12-6-9-2-3-10(7-12)5-11(4-9)8-12/h9-11,13H,2-8H2,1H3
InChIKeyACACVFQQNLZCKZ-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.56
Rot. Bonds1

About N-methyltricyclo[4.3.1.13,8]undecan-1-amine

N-methyltricyclo[4.3.1.13,8]undecan-1-amine (PubChem CID 123976762) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N-methyltricyclo[4.3.1.13,8]undecan-1-amine.

Molecular Properties

Compound NameN-methyltricyclo[4.3.1.13,8]undecan-1-amine
PubChem CID123976762
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN-methyltricyclo[4.3.1.13,8]undecan-1-amine
SMILESCNC12CC3CCC(CC(C3)C1)C2
InChIInChI=1S/C12H21N/c1-13-12-6-9-2-3-10(7-12)5-11(4-9)8-12/h9-11,13H,2-8H2,1H3
InChIKeyACACVFQQNLZCKZ-UHFFFAOYSA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyltricyclo[4.3.1.13,8]undecan-1-amine?
The IUPAC name of N-methyltricyclo[4.3.1.13,8]undecan-1-amine (CID 123976762) is N-methyltricyclo[4.3.1.13,8]undecan-1-amine.
What is the SMILES notation for N-methyltricyclo[4.3.1.13,8]undecan-1-amine?
The canonical SMILES for N-methyltricyclo[4.3.1.13,8]undecan-1-amine is CNC12CC3CCC(CC(C3)C1)C2.
What is the InChIKey of N-methyltricyclo[4.3.1.13,8]undecan-1-amine?
The InChIKey is ACACVFQQNLZCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-13-12-6-9-2-3-10(7-12)5-11(4-9)8-12/h9-11,13H,2-8H2,1H3.
What are the key properties of N-methyltricyclo[4.3.1.13,8]undecan-1-amine?
N-methyltricyclo[4.3.1.13,8]undecan-1-amine has a molecular weight of 179.31 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyltricyclo[4.3.1.13,8]undecan-1-amine is sourced from PubChem (CID 123976762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).