(3R,5S)-5-methylpiperidin-3-amine

C6H14N2 — CID 90290401

IUPAC(3R,5S)-5-methylpiperidin-3-amine
SMILESC[C@@H]1CNC[C@H](N)C1
InChIInChI=1S/C6H14N2/c1-5-2-6(7)4-8-3-5/h5-6,8H,2-4,7H2,1H3/t5-,6+/m0/s1
InChIKeyPQOHPULQDOKUOG-NTSWFWBYSA-N
MW114.19 g/mol
LogP-0.06
Rot. Bonds

About (3R,5S)-5-methylpiperidin-3-amine

(3R,5S)-5-methylpiperidin-3-amine (PubChem CID 90290401) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is (3R,5S)-5-methylpiperidin-3-amine.

Molecular Properties

Compound Name(3R,5S)-5-methylpiperidin-3-amine
PubChem CID90290401
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Name(3R,5S)-5-methylpiperidin-3-amine
SMILESC[C@@H]1CNC[C@H](N)C1
InChIInChI=1S/C6H14N2/c1-5-2-6(7)4-8-3-5/h5-6,8H,2-4,7H2,1H3/t5-,6+/m0/s1
InChIKeyPQOHPULQDOKUOG-NTSWFWBYSA-N
XLogP-0.06
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-methylpiperidin-3-amine?
The IUPAC name of (3R,5S)-5-methylpiperidin-3-amine (CID 90290401) is (3R,5S)-5-methylpiperidin-3-amine.
What is the SMILES notation for (3R,5S)-5-methylpiperidin-3-amine?
The canonical SMILES for (3R,5S)-5-methylpiperidin-3-amine is C[C@@H]1CNC[C@H](N)C1.
What is the InChIKey of (3R,5S)-5-methylpiperidin-3-amine?
The InChIKey is PQOHPULQDOKUOG-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H14N2/c1-5-2-6(7)4-8-3-5/h5-6,8H,2-4,7H2,1H3/t5-,6+/m0/s1.
What are the key properties of (3R,5S)-5-methylpiperidin-3-amine?
(3R,5S)-5-methylpiperidin-3-amine has a molecular weight of 114.19 g/mol, XLogP of -0.06, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-methylpiperidin-3-amine is sourced from PubChem (CID 90290401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).