N-ethyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine

C12H26N2 — CID 59289572

IUPACN-ethyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine
SMILESCCN(CC1CCN(C)CC1)C(C)C
InChIInChI=1S/C12H26N2/c1-5-14(11(2)3)10-12-6-8-13(4)9-7-12/h11-12H,5-10H2,1-4H3
InChIKeyFSSKNLKNKZJUEI-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.06
Rot. Bonds4

About N-ethyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine

N-ethyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine (PubChem CID 59289572) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N-ethyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-ethyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine
PubChem CID59289572
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN-ethyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine
SMILESCCN(CC1CCN(C)CC1)C(C)C
InChIInChI=1S/C12H26N2/c1-5-14(11(2)3)10-12-6-8-13(4)9-7-12/h11-12H,5-10H2,1-4H3
InChIKeyFSSKNLKNKZJUEI-UHFFFAOYSA-N
XLogP2.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine?
The IUPAC name of N-ethyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine (CID 59289572) is N-ethyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-ethyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-ethyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine is CCN(CC1CCN(C)CC1)C(C)C.
What is the InChIKey of N-ethyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine?
The InChIKey is FSSKNLKNKZJUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-5-14(11(2)3)10-12-6-8-13(4)9-7-12/h11-12H,5-10H2,1-4H3.
What are the key properties of N-ethyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine?
N-ethyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine has a molecular weight of 198.35 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 59289572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).