5-methyl-N-(3-methylbutyl)-N-(3-piperidin-1-ylpropyl)hexan-1-amine

C20H42N2 — CID 15030033

IUPAC5-methyl-N-(3-methylbutyl)-N-(3-piperidin-1-ylpropyl)hexan-1-amine
SMILESCC(C)CCCCN(CCCN1CCCCC1)CCC(C)C
InChIInChI=1S/C20H42N2/c1-19(2)11-6-9-15-22(18-12-20(3)4)17-10-16-21-13-7-5-8-14-21/h19-20H,5-18H2,1-4H3
InChIKeyBYPDJVMKHRIRQM-UHFFFAOYSA-N
MW310.57 g/mol
LogP5.04
Rot. Bonds12

About 5-methyl-N-(3-methylbutyl)-N-(3-piperidin-1-ylpropyl)hexan-1-amine

5-methyl-N-(3-methylbutyl)-N-(3-piperidin-1-ylpropyl)hexan-1-amine (PubChem CID 15030033) has the molecular formula C20H42N2 and a molecular weight of 310.57 g/mol. Its IUPAC name is 5-methyl-N-(3-methylbutyl)-N-(3-piperidin-1-ylpropyl)hexan-1-amine.

Molecular Properties

Compound Name5-methyl-N-(3-methylbutyl)-N-(3-piperidin-1-ylpropyl)hexan-1-amine
PubChem CID15030033
Molecular FormulaC20H42N2
Molecular Weight310.57 g/mol
Exact Mass310.33
IUPAC Name5-methyl-N-(3-methylbutyl)-N-(3-piperidin-1-ylpropyl)hexan-1-amine
SMILESCC(C)CCCCN(CCCN1CCCCC1)CCC(C)C
InChIInChI=1S/C20H42N2/c1-19(2)11-6-9-15-22(18-12-20(3)4)17-10-16-21-13-7-5-8-14-21/h19-20H,5-18H2,1-4H3
InChIKeyBYPDJVMKHRIRQM-UHFFFAOYSA-N
XLogP5.04
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.57
LogP ≤ 55.04
H-Bond Donors ≤ 50
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 5-methyl-N-(3-methylbutyl)-N-(3-piperidin-1-ylpropyl)hexan-1-amine?
The IUPAC name of 5-methyl-N-(3-methylbutyl)-N-(3-piperidin-1-ylpropyl)hexan-1-amine (CID 15030033) is 5-methyl-N-(3-methylbutyl)-N-(3-piperidin-1-ylpropyl)hexan-1-amine.
What is the SMILES notation for 5-methyl-N-(3-methylbutyl)-N-(3-piperidin-1-ylpropyl)hexan-1-amine?
The canonical SMILES for 5-methyl-N-(3-methylbutyl)-N-(3-piperidin-1-ylpropyl)hexan-1-amine is CC(C)CCCCN(CCCN1CCCCC1)CCC(C)C.
What is the InChIKey of 5-methyl-N-(3-methylbutyl)-N-(3-piperidin-1-ylpropyl)hexan-1-amine?
The InChIKey is BYPDJVMKHRIRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42N2/c1-19(2)11-6-9-15-22(18-12-20(3)4)17-10-16-21-13-7-5-8-14-21/h19-20H,5-18H2,1-4H3.
What are the key properties of 5-methyl-N-(3-methylbutyl)-N-(3-piperidin-1-ylpropyl)hexan-1-amine?
5-methyl-N-(3-methylbutyl)-N-(3-piperidin-1-ylpropyl)hexan-1-amine has a molecular weight of 310.57 g/mol, XLogP of 5.04, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-methylbutyl)-N-(3-piperidin-1-ylpropyl)hexan-1-amine is sourced from PubChem (CID 15030033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).