1-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]propan-2-amine

C12H27N3 — CID 83835392

IUPAC1-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]propan-2-amine
SMILESCC(N)CN1CCCCC1CCN(C)C
InChIInChI=1S/C12H27N3/c1-11(13)10-15-8-5-4-6-12(15)7-9-14(2)3/h11-12H,4-10,13H2,1-3H3
InChIKeyXEAYXMFTWVNSMQ-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.14
Rot. Bonds5

About 1-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]propan-2-amine

1-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]propan-2-amine (PubChem CID 83835392) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 1-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]propan-2-amine.

Molecular Properties

Compound Name1-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]propan-2-amine
PubChem CID83835392
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name1-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]propan-2-amine
SMILESCC(N)CN1CCCCC1CCN(C)C
InChIInChI=1S/C12H27N3/c1-11(13)10-15-8-5-4-6-12(15)7-9-14(2)3/h11-12H,4-10,13H2,1-3H3
InChIKeyXEAYXMFTWVNSMQ-UHFFFAOYSA-N
XLogP1.14
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]propan-2-amine?
The IUPAC name of 1-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]propan-2-amine (CID 83835392) is 1-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]propan-2-amine.
What is the SMILES notation for 1-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]propan-2-amine?
The canonical SMILES for 1-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]propan-2-amine is CC(N)CN1CCCCC1CCN(C)C.
What is the InChIKey of 1-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]propan-2-amine?
The InChIKey is XEAYXMFTWVNSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-11(13)10-15-8-5-4-6-12(15)7-9-14(2)3/h11-12H,4-10,13H2,1-3H3.
What are the key properties of 1-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]propan-2-amine?
1-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]propan-2-amine has a molecular weight of 213.37 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]propan-2-amine is sourced from PubChem (CID 83835392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).