N-propyl-4-(2,3,5-trimethylpiperidin-1-yl)pentan-1-amine

C16H34N2 — CID 114597107

IUPACN-propyl-4-(2,3,5-trimethylpiperidin-1-yl)pentan-1-amine
SMILESCCCNCCCC(C)N1CC(C)CC(C)C1C
InChIInChI=1S/C16H34N2/c1-6-9-17-10-7-8-15(4)18-12-13(2)11-14(3)16(18)5/h13-17H,6-12H2,1-5H3
InChIKeyTVHAPZOHHORCCB-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.52
Rot. Bonds7

About N-propyl-4-(2,3,5-trimethylpiperidin-1-yl)pentan-1-amine

N-propyl-4-(2,3,5-trimethylpiperidin-1-yl)pentan-1-amine (PubChem CID 114597107) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N-propyl-4-(2,3,5-trimethylpiperidin-1-yl)pentan-1-amine.

Molecular Properties

Compound NameN-propyl-4-(2,3,5-trimethylpiperidin-1-yl)pentan-1-amine
PubChem CID114597107
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN-propyl-4-(2,3,5-trimethylpiperidin-1-yl)pentan-1-amine
SMILESCCCNCCCC(C)N1CC(C)CC(C)C1C
InChIInChI=1S/C16H34N2/c1-6-9-17-10-7-8-15(4)18-12-13(2)11-14(3)16(18)5/h13-17H,6-12H2,1-5H3
InChIKeyTVHAPZOHHORCCB-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-propyl-4-(2,3,5-trimethylpiperidin-1-yl)pentan-1-amine?
The IUPAC name of N-propyl-4-(2,3,5-trimethylpiperidin-1-yl)pentan-1-amine (CID 114597107) is N-propyl-4-(2,3,5-trimethylpiperidin-1-yl)pentan-1-amine.
What is the SMILES notation for N-propyl-4-(2,3,5-trimethylpiperidin-1-yl)pentan-1-amine?
The canonical SMILES for N-propyl-4-(2,3,5-trimethylpiperidin-1-yl)pentan-1-amine is CCCNCCCC(C)N1CC(C)CC(C)C1C.
What is the InChIKey of N-propyl-4-(2,3,5-trimethylpiperidin-1-yl)pentan-1-amine?
The InChIKey is TVHAPZOHHORCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-6-9-17-10-7-8-15(4)18-12-13(2)11-14(3)16(18)5/h13-17H,6-12H2,1-5H3.
What are the key properties of N-propyl-4-(2,3,5-trimethylpiperidin-1-yl)pentan-1-amine?
N-propyl-4-(2,3,5-trimethylpiperidin-1-yl)pentan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-(2,3,5-trimethylpiperidin-1-yl)pentan-1-amine is sourced from PubChem (CID 114597107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).