4-methyl-1-(7-methyltridecan-7-yl)piperidin-3-amine

C20H42N2 — CID 130337153

IUPAC4-methyl-1-(7-methyltridecan-7-yl)piperidin-3-amine
SMILESCCCCCCC(C)(CCCCCC)N1CCC(C)C(N)C1
InChIInChI=1S/C20H42N2/c1-5-7-9-11-14-20(4,15-12-10-8-6-2)22-16-13-18(3)19(21)17-22/h18-19H,5-17,21H2,1-4H3
InChIKeyZKQCSFIAEPRIIJ-UHFFFAOYSA-N
MW310.57 g/mol
LogP5.36
Rot. Bonds11

About 4-methyl-1-(7-methyltridecan-7-yl)piperidin-3-amine

4-methyl-1-(7-methyltridecan-7-yl)piperidin-3-amine (PubChem CID 130337153) has the molecular formula C20H42N2 and a molecular weight of 310.57 g/mol. Its IUPAC name is 4-methyl-1-(7-methyltridecan-7-yl)piperidin-3-amine.

Molecular Properties

Compound Name4-methyl-1-(7-methyltridecan-7-yl)piperidin-3-amine
PubChem CID130337153
Molecular FormulaC20H42N2
Molecular Weight310.57 g/mol
Exact Mass310.33
IUPAC Name4-methyl-1-(7-methyltridecan-7-yl)piperidin-3-amine
SMILESCCCCCCC(C)(CCCCCC)N1CCC(C)C(N)C1
InChIInChI=1S/C20H42N2/c1-5-7-9-11-14-20(4,15-12-10-8-6-2)22-16-13-18(3)19(21)17-22/h18-19H,5-17,21H2,1-4H3
InChIKeyZKQCSFIAEPRIIJ-UHFFFAOYSA-N
XLogP5.36
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.57
LogP ≤ 55.36
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-(7-methyltetradecan-7-yl)piperidin-3-amine
CID 126486331
1-(6-methyldodecan-6-yl)azetidin-3-amine
CID 130337700
1-(7-methyltridecan-7-yl)pyrrolidine-3-carboxylic acid
CID 138747066
2-(3-methoxypyrrolidin-1-yl)-2-methylheptan-1-amine
CID 103531540
1-(2-methylnonan-2-yl)pyrrolidin-3-amine
CID 130338700
2-(3,4-dimethylpyrrolidin-1-yl)-2-methylheptan-1-amine
CID 80557534
1-(7-methyltridecan-7-yl)pyrrolidine
CID 131990775
2-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)octan-1-amine
CID 79175486
1-(6-methyldodecan-6-yl)pyrrolidin-2-amine
CID 170325114
2-(4-tert-butylpiperidin-1-yl)-2-methylnonan-1-amine
CID 63465793
2-methyl-2-(4-propan-2-ylpiperidin-1-yl)nonan-1-amine
CID 103494824
1,2-dimethyl-4-(4-methylnonan-4-yl)piperazine
CID 139518624

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(7-methyltridecan-7-yl)piperidin-3-amine?
The IUPAC name of 4-methyl-1-(7-methyltridecan-7-yl)piperidin-3-amine (CID 130337153) is 4-methyl-1-(7-methyltridecan-7-yl)piperidin-3-amine.
What is the SMILES notation for 4-methyl-1-(7-methyltridecan-7-yl)piperidin-3-amine?
The canonical SMILES for 4-methyl-1-(7-methyltridecan-7-yl)piperidin-3-amine is CCCCCCC(C)(CCCCCC)N1CCC(C)C(N)C1.
What is the InChIKey of 4-methyl-1-(7-methyltridecan-7-yl)piperidin-3-amine?
The InChIKey is ZKQCSFIAEPRIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42N2/c1-5-7-9-11-14-20(4,15-12-10-8-6-2)22-16-13-18(3)19(21)17-22/h18-19H,5-17,21H2,1-4H3.
What are the key properties of 4-methyl-1-(7-methyltridecan-7-yl)piperidin-3-amine?
4-methyl-1-(7-methyltridecan-7-yl)piperidin-3-amine has a molecular weight of 310.57 g/mol, XLogP of 5.36, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(7-methyltridecan-7-yl)piperidin-3-amine is sourced from PubChem (CID 130337153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).