3-(2-methylpiperidin-1-yl)propan-1-amine;2-piperidin-1-ylethanamine

C16H36N4 — CID 67581365

IUPAC3-(2-methylpiperidin-1-yl)propan-1-amine;2-piperidin-1-ylethanamine
SMILESCC1CCCCN1CCCN.NCCN1CCCCC1
InChIInChI=1S/C9H20N2.C7H16N2/c1-9-5-2-3-7-11(9)8-4-6-10;8-4-7-9-5-2-1-3-6-9/h9H,2-8,10H2,1H3;1-8H2
InChIKeyCQOYRGRRUIHFMJ-UHFFFAOYSA-N
MW284.49 g/mol
LogP1.64
Rot. Bonds5

About 3-(2-methylpiperidin-1-yl)propan-1-amine;2-piperidin-1-ylethanamine

3-(2-methylpiperidin-1-yl)propan-1-amine;2-piperidin-1-ylethanamine (PubChem CID 67581365) has the molecular formula C16H36N4 and a molecular weight of 284.49 g/mol. Its IUPAC name is 3-(2-methylpiperidin-1-yl)propan-1-amine;2-piperidin-1-ylethanamine.

Molecular Properties

Compound Name3-(2-methylpiperidin-1-yl)propan-1-amine;2-piperidin-1-ylethanamine
PubChem CID67581365
Molecular FormulaC16H36N4
Molecular Weight284.49 g/mol
Exact Mass284.29
IUPAC Name3-(2-methylpiperidin-1-yl)propan-1-amine;2-piperidin-1-ylethanamine
SMILESCC1CCCCN1CCCN.NCCN1CCCCC1
InChIInChI=1S/C9H20N2.C7H16N2/c1-9-5-2-3-7-11(9)8-4-6-10;8-4-7-9-5-2-1-3-6-9/h9H,2-8,10H2,1H3;1-8H2
InChIKeyCQOYRGRRUIHFMJ-UHFFFAOYSA-N
XLogP1.64
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpiperidin-1-yl)propan-1-amine;2-piperidin-1-ylethanamine?
The IUPAC name of 3-(2-methylpiperidin-1-yl)propan-1-amine;2-piperidin-1-ylethanamine (CID 67581365) is 3-(2-methylpiperidin-1-yl)propan-1-amine;2-piperidin-1-ylethanamine.
What is the SMILES notation for 3-(2-methylpiperidin-1-yl)propan-1-amine;2-piperidin-1-ylethanamine?
The canonical SMILES for 3-(2-methylpiperidin-1-yl)propan-1-amine;2-piperidin-1-ylethanamine is CC1CCCCN1CCCN.NCCN1CCCCC1.
What is the InChIKey of 3-(2-methylpiperidin-1-yl)propan-1-amine;2-piperidin-1-ylethanamine?
The InChIKey is CQOYRGRRUIHFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2.C7H16N2/c1-9-5-2-3-7-11(9)8-4-6-10;8-4-7-9-5-2-1-3-6-9/h9H,2-8,10H2,1H3;1-8H2.
What are the key properties of 3-(2-methylpiperidin-1-yl)propan-1-amine;2-piperidin-1-ylethanamine?
3-(2-methylpiperidin-1-yl)propan-1-amine;2-piperidin-1-ylethanamine has a molecular weight of 284.49 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpiperidin-1-yl)propan-1-amine;2-piperidin-1-ylethanamine is sourced from PubChem (CID 67581365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).