1-(7-methyltetradecan-7-yl)piperidin-3-amine

C20H42N2 — CID 126486331

IUPAC1-(7-methyltetradecan-7-yl)piperidin-3-amine
SMILESCCCCCCCC(C)(CCCCCC)N1CCCC(N)C1
InChIInChI=1S/C20H42N2/c1-4-6-8-10-12-16-20(3,15-11-9-7-5-2)22-17-13-14-19(21)18-22/h19H,4-18,21H2,1-3H3
InChIKeyNJOMFBHHQTZROU-UHFFFAOYSA-N
MW310.57 g/mol
LogP5.50
Rot. Bonds12

About 1-(7-methyltetradecan-7-yl)piperidin-3-amine

1-(7-methyltetradecan-7-yl)piperidin-3-amine (PubChem CID 126486331) has the molecular formula C20H42N2 and a molecular weight of 310.57 g/mol. Its IUPAC name is 1-(7-methyltetradecan-7-yl)piperidin-3-amine.

Molecular Properties

Compound Name1-(7-methyltetradecan-7-yl)piperidin-3-amine
PubChem CID126486331
Molecular FormulaC20H42N2
Molecular Weight310.57 g/mol
Exact Mass310.33
IUPAC Name1-(7-methyltetradecan-7-yl)piperidin-3-amine
SMILESCCCCCCCC(C)(CCCCCC)N1CCCC(N)C1
InChIInChI=1S/C20H42N2/c1-4-6-8-10-12-16-20(3,15-11-9-7-5-2)22-17-13-14-19(21)18-22/h19H,4-18,21H2,1-3H3
InChIKeyNJOMFBHHQTZROU-UHFFFAOYSA-N
XLogP5.50
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.57
LogP ≤ 55.50
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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Related Compounds

1-(6-methyldodecan-6-yl)azetidin-3-amine
CID 130337700
1-(2-methylnonan-2-yl)pyrrolidin-3-amine
CID 130338700
1-(7-methyltridecan-7-yl)pyrrolidine
CID 131990775
4-methyl-1-(7-methyltridecan-7-yl)piperidin-3-amine
CID 130337153
1-(6-methyldodecan-6-yl)pyrrolidin-2-amine
CID 170325114
1-(1-amino-2-methylheptan-2-yl)-N,N-dimethylpiperidin-3-amine
CID 80557428
2-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)octan-1-amine
CID 79175486
2-(3-methoxypyrrolidin-1-yl)-2-methylheptan-1-amine
CID 103531540
1-(7-methyltridecan-7-yl)pyrrolidine-3-carboxylic acid
CID 138747066
2-(4-tert-butylpiperidin-1-yl)-2-methylnonan-1-amine
CID 63465793
1,2-dimethyl-4-(4-methylnonan-4-yl)piperazine
CID 139518624
1-(7-methyltetradecan-7-yl)-1,3-diazetidine
CID 139436879

Frequently Asked Questions

What is the IUPAC name of 1-(7-methyltetradecan-7-yl)piperidin-3-amine?
The IUPAC name of 1-(7-methyltetradecan-7-yl)piperidin-3-amine (CID 126486331) is 1-(7-methyltetradecan-7-yl)piperidin-3-amine.
What is the SMILES notation for 1-(7-methyltetradecan-7-yl)piperidin-3-amine?
The canonical SMILES for 1-(7-methyltetradecan-7-yl)piperidin-3-amine is CCCCCCCC(C)(CCCCCC)N1CCCC(N)C1.
What is the InChIKey of 1-(7-methyltetradecan-7-yl)piperidin-3-amine?
The InChIKey is NJOMFBHHQTZROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42N2/c1-4-6-8-10-12-16-20(3,15-11-9-7-5-2)22-17-13-14-19(21)18-22/h19H,4-18,21H2,1-3H3.
What are the key properties of 1-(7-methyltetradecan-7-yl)piperidin-3-amine?
1-(7-methyltetradecan-7-yl)piperidin-3-amine has a molecular weight of 310.57 g/mol, XLogP of 5.50, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyltetradecan-7-yl)piperidin-3-amine is sourced from PubChem (CID 126486331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).