1,1-bis(1-methylpiperidin-4-yl)tetradecan-2-amine

C26H53N3 — CID 57201068

IUPAC1,1-bis(1-methylpiperidin-4-yl)tetradecan-2-amine
SMILESCCCCCCCCCCCCC(N)C(C1CCN(C)CC1)C1CCN(C)CC1
InChIInChI=1S/C26H53N3/c1-4-5-6-7-8-9-10-11-12-13-14-25(27)26(23-15-19-28(2)20-16-23)24-17-21-29(3)22-18-24/h23-26H,4-22,27H2,1-3H3
InChIKeyGBZGDMOJOMKWQB-UHFFFAOYSA-N
MW407.73 g/mol
LogP5.92
Rot. Bonds14

About 1,1-bis(1-methylpiperidin-4-yl)tetradecan-2-amine

1,1-bis(1-methylpiperidin-4-yl)tetradecan-2-amine (PubChem CID 57201068) has the molecular formula C26H53N3 and a molecular weight of 407.73 g/mol. Its IUPAC name is 1,1-bis(1-methylpiperidin-4-yl)tetradecan-2-amine.

Molecular Properties

Compound Name1,1-bis(1-methylpiperidin-4-yl)tetradecan-2-amine
PubChem CID57201068
Molecular FormulaC26H53N3
Molecular Weight407.73 g/mol
Exact Mass407.42
IUPAC Name1,1-bis(1-methylpiperidin-4-yl)tetradecan-2-amine
SMILESCCCCCCCCCCCCC(N)C(C1CCN(C)CC1)C1CCN(C)CC1
InChIInChI=1S/C26H53N3/c1-4-5-6-7-8-9-10-11-12-13-14-25(27)26(23-15-19-28(2)20-16-23)24-17-21-29(3)22-18-24/h23-26H,4-22,27H2,1-3H3
InChIKeyGBZGDMOJOMKWQB-UHFFFAOYSA-N
XLogP5.92
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.73
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-tridecan-7-ylpyrrolidine
CID 129157230
1-methyl-3-tetradecan-7-ylpyrrolidine
CID 166688622
2-cyclopropyltridecan-3-amine
CID 115845964
2-cyclopropyldecan-3-amine
CID 115832316
2-cyclopropylundecan-3-amine
CID 115835648
hexadecane-6,7-diamine
CID 57245820
tritriacontane-16,17-diamine
CID 57106039
hexatriacontane-18,19-diamine
CID 57054547
1-methyl-4-propan-2-ylpiperidine;pentane
CID 163403210
1-methyl-N-nonan-2-ylpiperidin-4-amine
CID 43373312
1,4-dimethylpiperidine;ethane;heptane
CID 156708934
1-cyclopentyldecan-2-amine
CID 115835607

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(1-methylpiperidin-4-yl)tetradecan-2-amine?
The IUPAC name of 1,1-bis(1-methylpiperidin-4-yl)tetradecan-2-amine (CID 57201068) is 1,1-bis(1-methylpiperidin-4-yl)tetradecan-2-amine.
What is the SMILES notation for 1,1-bis(1-methylpiperidin-4-yl)tetradecan-2-amine?
The canonical SMILES for 1,1-bis(1-methylpiperidin-4-yl)tetradecan-2-amine is CCCCCCCCCCCCC(N)C(C1CCN(C)CC1)C1CCN(C)CC1.
What is the InChIKey of 1,1-bis(1-methylpiperidin-4-yl)tetradecan-2-amine?
The InChIKey is GBZGDMOJOMKWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H53N3/c1-4-5-6-7-8-9-10-11-12-13-14-25(27)26(23-15-19-28(2)20-16-23)24-17-21-29(3)22-18-24/h23-26H,4-22,27H2,1-3H3.
What are the key properties of 1,1-bis(1-methylpiperidin-4-yl)tetradecan-2-amine?
1,1-bis(1-methylpiperidin-4-yl)tetradecan-2-amine has a molecular weight of 407.73 g/mol, XLogP of 5.92, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(1-methylpiperidin-4-yl)tetradecan-2-amine is sourced from PubChem (CID 57201068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).