3-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]butan-2-amine

C15H32N2 — CID 43308725

IUPAC3-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]butan-2-amine
SMILESCCCN1CCCC(C(C)NC(C)C(C)C)C1
InChIInChI=1S/C15H32N2/c1-6-9-17-10-7-8-15(11-17)14(5)16-13(4)12(2)3/h12-16H,6-11H2,1-5H3
InChIKeyXQEWGPQZSIMFMG-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.13
Rot. Bonds6

About 3-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]butan-2-amine

3-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]butan-2-amine (PubChem CID 43308725) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 3-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]butan-2-amine.

Molecular Properties

Compound Name3-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]butan-2-amine
PubChem CID43308725
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name3-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]butan-2-amine
SMILESCCCN1CCCC(C(C)NC(C)C(C)C)C1
InChIInChI=1S/C15H32N2/c1-6-9-17-10-7-8-15(11-17)14(5)16-13(4)12(2)3/h12-16H,6-11H2,1-5H3
InChIKeyXQEWGPQZSIMFMG-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]butan-2-amine
CID 43308727
N-[1-(1-propylpiperidin-3-yl)ethyl]hex-5-yn-3-amine
CID 113477136
1-phenyl-N-[1-(1-propylpiperidin-3-yl)ethyl]propan-2-amine
CID 63011582
N-ethoxy-1-(1-propylpiperidin-3-yl)ethanamine
CID 82710396
3-methoxy-2-[1-(1-propylpiperidin-3-yl)ethylamino]propan-1-ol
CID 106186760
N-[1-(1-propylpiperidin-3-yl)ethyl]pentan-1-amine
CID 43307476
(1R)-1-[(3R)-1-propylpiperidin-3-yl]ethanol
CID 51697339
N-ethyl-1-(1-pentylpiperidin-3-yl)ethanamine
CID 63852706
3-[[1-(1-propylpiperidin-3-yl)ethylamino]methyl]pentan-3-ol
CID 65105569
5-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]hexan-1-amine
CID 115325204
N-[(1S)-1-(2-chlorophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine
CID 81375624
N-[1-(2-fluorophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine
CID 60928302

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]butan-2-amine?
The IUPAC name of 3-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]butan-2-amine (CID 43308725) is 3-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]butan-2-amine.
What is the SMILES notation for 3-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]butan-2-amine?
The canonical SMILES for 3-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]butan-2-amine is CCCN1CCCC(C(C)NC(C)C(C)C)C1.
What is the InChIKey of 3-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]butan-2-amine?
The InChIKey is XQEWGPQZSIMFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-6-9-17-10-7-8-15(11-17)14(5)16-13(4)12(2)3/h12-16H,6-11H2,1-5H3.
What are the key properties of 3-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]butan-2-amine?
3-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]butan-2-amine has a molecular weight of 240.43 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]butan-2-amine is sourced from PubChem (CID 43308725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).