(3S,5R)-1-azatricyclo[3.3.1.13,7]decan-4-amine

C9H16N2 — CID 11073616

IUPAC(3S,5R)-1-azatricyclo[3.3.1.13,7]decan-4-amine
SMILESNC1[C@@H]2CC3C[C@H]1CN(C3)C2
InChIInChI=1S/C9H16N2/c10-9-7-1-6-2-8(9)5-11(3-6)4-7/h6-9H,1-5,10H2/t6?,7-,8+,9?
InChIKeyKBANJTYDXMCGKU-VGKQMMLZSA-N
MW152.24 g/mol
LogP0.29
Rot. Bonds

About (3S,5R)-1-azatricyclo[3.3.1.13,7]decan-4-amine

(3S,5R)-1-azatricyclo[3.3.1.13,7]decan-4-amine (PubChem CID 11073616) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (3S,5R)-1-azatricyclo[3.3.1.13,7]decan-4-amine.

Molecular Properties

Compound Name(3S,5R)-1-azatricyclo[3.3.1.13,7]decan-4-amine
PubChem CID11073616
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(3S,5R)-1-azatricyclo[3.3.1.13,7]decan-4-amine
SMILESNC1[C@@H]2CC3C[C@H]1CN(C3)C2
InChIInChI=1S/C9H16N2/c10-9-7-1-6-2-8(9)5-11(3-6)4-7/h6-9H,1-5,10H2/t6?,7-,8+,9?
InChIKeyKBANJTYDXMCGKU-VGKQMMLZSA-N
XLogP0.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-1-azatricyclo[3.3.1.13,7]decan-4-amine?
The IUPAC name of (3S,5R)-1-azatricyclo[3.3.1.13,7]decan-4-amine (CID 11073616) is (3S,5R)-1-azatricyclo[3.3.1.13,7]decan-4-amine.
What is the SMILES notation for (3S,5R)-1-azatricyclo[3.3.1.13,7]decan-4-amine?
The canonical SMILES for (3S,5R)-1-azatricyclo[3.3.1.13,7]decan-4-amine is NC1[C@@H]2CC3C[C@H]1CN(C3)C2.
What is the InChIKey of (3S,5R)-1-azatricyclo[3.3.1.13,7]decan-4-amine?
The InChIKey is KBANJTYDXMCGKU-VGKQMMLZSA-N. The full InChI is InChI=1S/C9H16N2/c10-9-7-1-6-2-8(9)5-11(3-6)4-7/h6-9H,1-5,10H2/t6?,7-,8+,9?.
What are the key properties of (3S,5R)-1-azatricyclo[3.3.1.13,7]decan-4-amine?
(3S,5R)-1-azatricyclo[3.3.1.13,7]decan-4-amine has a molecular weight of 152.24 g/mol, XLogP of 0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-1-azatricyclo[3.3.1.13,7]decan-4-amine is sourced from PubChem (CID 11073616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).