3-methyl-N-(piperidin-4-ylmethyl)butan-2-amine

C11H24N2 — CID 79708240

IUPAC3-methyl-N-(piperidin-4-ylmethyl)butan-2-amine
SMILESCC(C)C(C)NCC1CCNCC1
InChIInChI=1S/C11H24N2/c1-9(2)10(3)13-8-11-4-6-12-7-5-11/h9-13H,4-8H2,1-3H3
InChIKeyNXYOLERHHQRZCH-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.62
Rot. Bonds4

About 3-methyl-N-(piperidin-4-ylmethyl)butan-2-amine

3-methyl-N-(piperidin-4-ylmethyl)butan-2-amine (PubChem CID 79708240) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 3-methyl-N-(piperidin-4-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name3-methyl-N-(piperidin-4-ylmethyl)butan-2-amine
PubChem CID79708240
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name3-methyl-N-(piperidin-4-ylmethyl)butan-2-amine
SMILESCC(C)C(C)NCC1CCNCC1
InChIInChI=1S/C11H24N2/c1-9(2)10(3)13-8-11-4-6-12-7-5-11/h9-13H,4-8H2,1-3H3
InChIKeyNXYOLERHHQRZCH-UHFFFAOYSA-N
XLogP1.62
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(piperidin-4-ylmethyl)butan-2-amine?
The IUPAC name of 3-methyl-N-(piperidin-4-ylmethyl)butan-2-amine (CID 79708240) is 3-methyl-N-(piperidin-4-ylmethyl)butan-2-amine.
What is the SMILES notation for 3-methyl-N-(piperidin-4-ylmethyl)butan-2-amine?
The canonical SMILES for 3-methyl-N-(piperidin-4-ylmethyl)butan-2-amine is CC(C)C(C)NCC1CCNCC1.
What is the InChIKey of 3-methyl-N-(piperidin-4-ylmethyl)butan-2-amine?
The InChIKey is NXYOLERHHQRZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-9(2)10(3)13-8-11-4-6-12-7-5-11/h9-13H,4-8H2,1-3H3.
What are the key properties of 3-methyl-N-(piperidin-4-ylmethyl)butan-2-amine?
3-methyl-N-(piperidin-4-ylmethyl)butan-2-amine has a molecular weight of 184.33 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(piperidin-4-ylmethyl)butan-2-amine is sourced from PubChem (CID 79708240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).