(5S)-N-methyl-1-azatricyclo[3.3.1.13,7]decan-4-amine

C10H18N2 — CID 89197632

IUPAC(5S)-N-methyl-1-azatricyclo[3.3.1.13,7]decan-4-amine
SMILESCNC1C2CC3C[C@H]1CN(C3)C2
InChIInChI=1S/C10H18N2/c1-11-10-8-2-7-3-9(10)6-12(4-7)5-8/h7-11H,2-6H2,1H3/t7?,8-,9?,10?/m0/s1
InChIKeyHRWUUUZHCJVUDS-QKTHJCGZSA-N
MW166.27 g/mol
LogP0.55
Rot. Bonds1

About (5S)-N-methyl-1-azatricyclo[3.3.1.13,7]decan-4-amine

(5S)-N-methyl-1-azatricyclo[3.3.1.13,7]decan-4-amine (PubChem CID 89197632) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (5S)-N-methyl-1-azatricyclo[3.3.1.13,7]decan-4-amine.

Molecular Properties

Compound Name(5S)-N-methyl-1-azatricyclo[3.3.1.13,7]decan-4-amine
PubChem CID89197632
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(5S)-N-methyl-1-azatricyclo[3.3.1.13,7]decan-4-amine
SMILESCNC1C2CC3C[C@H]1CN(C3)C2
InChIInChI=1S/C10H18N2/c1-11-10-8-2-7-3-9(10)6-12(4-7)5-8/h7-11H,2-6H2,1H3/t7?,8-,9?,10?/m0/s1
InChIKeyHRWUUUZHCJVUDS-QKTHJCGZSA-N
XLogP0.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-N-methyl-1-azatricyclo[3.3.1.13,7]decan-4-amine?
The IUPAC name of (5S)-N-methyl-1-azatricyclo[3.3.1.13,7]decan-4-amine (CID 89197632) is (5S)-N-methyl-1-azatricyclo[3.3.1.13,7]decan-4-amine.
What is the SMILES notation for (5S)-N-methyl-1-azatricyclo[3.3.1.13,7]decan-4-amine?
The canonical SMILES for (5S)-N-methyl-1-azatricyclo[3.3.1.13,7]decan-4-amine is CNC1C2CC3C[C@H]1CN(C3)C2.
What is the InChIKey of (5S)-N-methyl-1-azatricyclo[3.3.1.13,7]decan-4-amine?
The InChIKey is HRWUUUZHCJVUDS-QKTHJCGZSA-N. The full InChI is InChI=1S/C10H18N2/c1-11-10-8-2-7-3-9(10)6-12(4-7)5-8/h7-11H,2-6H2,1H3/t7?,8-,9?,10?/m0/s1.
What are the key properties of (5S)-N-methyl-1-azatricyclo[3.3.1.13,7]decan-4-amine?
(5S)-N-methyl-1-azatricyclo[3.3.1.13,7]decan-4-amine has a molecular weight of 166.27 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-methyl-1-azatricyclo[3.3.1.13,7]decan-4-amine is sourced from PubChem (CID 89197632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).