3-ethyl-7-methyl-N-(3-piperidin-1-ylpropyl)octan-4-amine

C19H40N2 — CID 15030013

IUPAC3-ethyl-7-methyl-N-(3-piperidin-1-ylpropyl)octan-4-amine
SMILESCCC(CC)C(CCC(C)C)NCCCN1CCCCC1
InChIInChI=1S/C19H40N2/c1-5-18(6-2)19(12-11-17(3)4)20-13-10-16-21-14-8-7-9-15-21/h17-20H,5-16H2,1-4H3
InChIKeyHTTIXSIMVLSCML-UHFFFAOYSA-N
MW296.54 g/mol
LogP4.69
Rot. Bonds11

About 3-ethyl-7-methyl-N-(3-piperidin-1-ylpropyl)octan-4-amine

3-ethyl-7-methyl-N-(3-piperidin-1-ylpropyl)octan-4-amine (PubChem CID 15030013) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is 3-ethyl-7-methyl-N-(3-piperidin-1-ylpropyl)octan-4-amine.

Molecular Properties

Compound Name3-ethyl-7-methyl-N-(3-piperidin-1-ylpropyl)octan-4-amine
PubChem CID15030013
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC Name3-ethyl-7-methyl-N-(3-piperidin-1-ylpropyl)octan-4-amine
SMILESCCC(CC)C(CCC(C)C)NCCCN1CCCCC1
InChIInChI=1S/C19H40N2/c1-5-18(6-2)19(12-11-17(3)4)20-13-10-16-21-14-8-7-9-15-21/h17-20H,5-16H2,1-4H3
InChIKeyHTTIXSIMVLSCML-UHFFFAOYSA-N
XLogP4.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 54.69
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 3-ethyl-7-methyl-N-(3-piperidin-1-ylpropyl)octan-4-amine?
The IUPAC name of 3-ethyl-7-methyl-N-(3-piperidin-1-ylpropyl)octan-4-amine (CID 15030013) is 3-ethyl-7-methyl-N-(3-piperidin-1-ylpropyl)octan-4-amine.
What is the SMILES notation for 3-ethyl-7-methyl-N-(3-piperidin-1-ylpropyl)octan-4-amine?
The canonical SMILES for 3-ethyl-7-methyl-N-(3-piperidin-1-ylpropyl)octan-4-amine is CCC(CC)C(CCC(C)C)NCCCN1CCCCC1.
What is the InChIKey of 3-ethyl-7-methyl-N-(3-piperidin-1-ylpropyl)octan-4-amine?
The InChIKey is HTTIXSIMVLSCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2/c1-5-18(6-2)19(12-11-17(3)4)20-13-10-16-21-14-8-7-9-15-21/h17-20H,5-16H2,1-4H3.
What are the key properties of 3-ethyl-7-methyl-N-(3-piperidin-1-ylpropyl)octan-4-amine?
3-ethyl-7-methyl-N-(3-piperidin-1-ylpropyl)octan-4-amine has a molecular weight of 296.54 g/mol, XLogP of 4.69, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-methyl-N-(3-piperidin-1-ylpropyl)octan-4-amine is sourced from PubChem (CID 15030013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).