N-[2-(2,3,5-trimethylpiperidin-1-yl)butyl]cyclopropanamine

C15H30N2 — CID 114597059

IUPACN-[2-(2,3,5-trimethylpiperidin-1-yl)butyl]cyclopropanamine
SMILESCCC(CNC1CC1)N1CC(C)CC(C)C1C
InChIInChI=1S/C15H30N2/c1-5-15(9-16-14-6-7-14)17-10-11(2)8-12(3)13(17)4/h11-16H,5-10H2,1-4H3
InChIKeyNXUIOIWJKBWBTL-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.88
Rot. Bonds5

About N-[2-(2,3,5-trimethylpiperidin-1-yl)butyl]cyclopropanamine

N-[2-(2,3,5-trimethylpiperidin-1-yl)butyl]cyclopropanamine (PubChem CID 114597059) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N-[2-(2,3,5-trimethylpiperidin-1-yl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2,3,5-trimethylpiperidin-1-yl)butyl]cyclopropanamine
PubChem CID114597059
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN-[2-(2,3,5-trimethylpiperidin-1-yl)butyl]cyclopropanamine
SMILESCCC(CNC1CC1)N1CC(C)CC(C)C1C
InChIInChI=1S/C15H30N2/c1-5-15(9-16-14-6-7-14)17-10-11(2)8-12(3)13(17)4/h11-16H,5-10H2,1-4H3
InChIKeyNXUIOIWJKBWBTL-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3,5-trimethylpiperidin-1-yl)butyl]cyclopropanamine?
The IUPAC name of N-[2-(2,3,5-trimethylpiperidin-1-yl)butyl]cyclopropanamine (CID 114597059) is N-[2-(2,3,5-trimethylpiperidin-1-yl)butyl]cyclopropanamine.
What is the SMILES notation for N-[2-(2,3,5-trimethylpiperidin-1-yl)butyl]cyclopropanamine?
The canonical SMILES for N-[2-(2,3,5-trimethylpiperidin-1-yl)butyl]cyclopropanamine is CCC(CNC1CC1)N1CC(C)CC(C)C1C.
What is the InChIKey of N-[2-(2,3,5-trimethylpiperidin-1-yl)butyl]cyclopropanamine?
The InChIKey is NXUIOIWJKBWBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-5-15(9-16-14-6-7-14)17-10-11(2)8-12(3)13(17)4/h11-16H,5-10H2,1-4H3.
What are the key properties of N-[2-(2,3,5-trimethylpiperidin-1-yl)butyl]cyclopropanamine?
N-[2-(2,3,5-trimethylpiperidin-1-yl)butyl]cyclopropanamine has a molecular weight of 238.42 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3,5-trimethylpiperidin-1-yl)butyl]cyclopropanamine is sourced from PubChem (CID 114597059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).