N-(2-methylpropyl)-N-(2-piperidin-4-ylethyl)pentan-3-amine

C16H34N2 — CID 79483878

IUPACN-(2-methylpropyl)-N-(2-piperidin-4-ylethyl)pentan-3-amine
SMILESCCC(CC)N(CCC1CCNCC1)CC(C)C
InChIInChI=1S/C16H34N2/c1-5-16(6-2)18(13-14(3)4)12-9-15-7-10-17-11-8-15/h14-17H,5-13H2,1-4H3
InChIKeyLJWLHVOKITWELY-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.52
Rot. Bonds8

About N-(2-methylpropyl)-N-(2-piperidin-4-ylethyl)pentan-3-amine

N-(2-methylpropyl)-N-(2-piperidin-4-ylethyl)pentan-3-amine (PubChem CID 79483878) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-(2-piperidin-4-ylethyl)pentan-3-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-(2-piperidin-4-ylethyl)pentan-3-amine
PubChem CID79483878
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN-(2-methylpropyl)-N-(2-piperidin-4-ylethyl)pentan-3-amine
SMILESCCC(CC)N(CCC1CCNCC1)CC(C)C
InChIInChI=1S/C16H34N2/c1-5-16(6-2)18(13-14(3)4)12-9-15-7-10-17-11-8-15/h14-17H,5-13H2,1-4H3
InChIKeyLJWLHVOKITWELY-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-(2-piperidin-4-ylethyl)pentan-3-amine?
The IUPAC name of N-(2-methylpropyl)-N-(2-piperidin-4-ylethyl)pentan-3-amine (CID 79483878) is N-(2-methylpropyl)-N-(2-piperidin-4-ylethyl)pentan-3-amine.
What is the SMILES notation for N-(2-methylpropyl)-N-(2-piperidin-4-ylethyl)pentan-3-amine?
The canonical SMILES for N-(2-methylpropyl)-N-(2-piperidin-4-ylethyl)pentan-3-amine is CCC(CC)N(CCC1CCNCC1)CC(C)C.
What is the InChIKey of N-(2-methylpropyl)-N-(2-piperidin-4-ylethyl)pentan-3-amine?
The InChIKey is LJWLHVOKITWELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-5-16(6-2)18(13-14(3)4)12-9-15-7-10-17-11-8-15/h14-17H,5-13H2,1-4H3.
What are the key properties of N-(2-methylpropyl)-N-(2-piperidin-4-ylethyl)pentan-3-amine?
N-(2-methylpropyl)-N-(2-piperidin-4-ylethyl)pentan-3-amine has a molecular weight of 254.46 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-(2-piperidin-4-ylethyl)pentan-3-amine is sourced from PubChem (CID 79483878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).