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

C19H40N2 — CID 174259424

IUPAC5-methyl-N-(3-methylbutyl)-N-(1-piperidin-1-ylethyl)hexan-1-amine
SMILESCC(C)CCCCN(CCC(C)C)C(C)N1CCCCC1
InChIInChI=1S/C19H40N2/c1-17(2)11-7-10-15-21(16-12-18(3)4)19(5)20-13-8-6-9-14-20/h17-19H,6-16H2,1-5H3
InChIKeyBCXCSMOKGOUCFF-UHFFFAOYSA-N
MW296.54 g/mol
LogP4.99
Rot. Bonds10

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

5-methyl-N-(3-methylbutyl)-N-(1-piperidin-1-ylethyl)hexan-1-amine (PubChem CID 174259424) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is 5-methyl-N-(3-methylbutyl)-N-(1-piperidin-1-ylethyl)hexan-1-amine.

Molecular Properties

Compound Name5-methyl-N-(3-methylbutyl)-N-(1-piperidin-1-ylethyl)hexan-1-amine
PubChem CID174259424
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC Name5-methyl-N-(3-methylbutyl)-N-(1-piperidin-1-ylethyl)hexan-1-amine
SMILESCC(C)CCCCN(CCC(C)C)C(C)N1CCCCC1
InChIInChI=1S/C19H40N2/c1-17(2)11-7-10-15-21(16-12-18(3)4)19(5)20-13-8-6-9-14-20/h17-19H,6-16H2,1-5H3
InChIKeyBCXCSMOKGOUCFF-UHFFFAOYSA-N
XLogP4.99
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 54.99
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-(1-piperidin-1-ylethyl)hexan-1-amine?
The IUPAC name of 5-methyl-N-(3-methylbutyl)-N-(1-piperidin-1-ylethyl)hexan-1-amine (CID 174259424) is 5-methyl-N-(3-methylbutyl)-N-(1-piperidin-1-ylethyl)hexan-1-amine.
What is the SMILES notation for 5-methyl-N-(3-methylbutyl)-N-(1-piperidin-1-ylethyl)hexan-1-amine?
The canonical SMILES for 5-methyl-N-(3-methylbutyl)-N-(1-piperidin-1-ylethyl)hexan-1-amine is CC(C)CCCCN(CCC(C)C)C(C)N1CCCCC1.
What is the InChIKey of 5-methyl-N-(3-methylbutyl)-N-(1-piperidin-1-ylethyl)hexan-1-amine?
The InChIKey is BCXCSMOKGOUCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2/c1-17(2)11-7-10-15-21(16-12-18(3)4)19(5)20-13-8-6-9-14-20/h17-19H,6-16H2,1-5H3.
What are the key properties of 5-methyl-N-(3-methylbutyl)-N-(1-piperidin-1-ylethyl)hexan-1-amine?
5-methyl-N-(3-methylbutyl)-N-(1-piperidin-1-ylethyl)hexan-1-amine has a molecular weight of 296.54 g/mol, XLogP of 4.99, 10 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-(1-piperidin-1-ylethyl)hexan-1-amine is sourced from PubChem (CID 174259424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).