N-methyl-7-(2-methylbutan-2-yl)tridecan-4-amine

C19H41N — CID 90799897

IUPACN-methyl-7-(2-methylbutan-2-yl)tridecan-4-amine
SMILESCCCCCCC(CCC(CCC)NC)C(C)(C)CC
InChIInChI=1S/C19H41N/c1-7-10-11-12-14-17(19(4,5)9-3)15-16-18(20-6)13-8-2/h17-18,20H,7-16H2,1-6H3
InChIKeyIWSOHOHMSYAFRK-UHFFFAOYSA-N
MW283.54 g/mol
LogP6.18
Rot. Bonds13

About N-methyl-7-(2-methylbutan-2-yl)tridecan-4-amine

N-methyl-7-(2-methylbutan-2-yl)tridecan-4-amine (PubChem CID 90799897) has the molecular formula C19H41N and a molecular weight of 283.54 g/mol. Its IUPAC name is N-methyl-7-(2-methylbutan-2-yl)tridecan-4-amine.

Molecular Properties

Compound NameN-methyl-7-(2-methylbutan-2-yl)tridecan-4-amine
PubChem CID90799897
Molecular FormulaC19H41N
Molecular Weight283.54 g/mol
Exact Mass283.32
IUPAC NameN-methyl-7-(2-methylbutan-2-yl)tridecan-4-amine
SMILESCCCCCCC(CCC(CCC)NC)C(C)(C)CC
InChIInChI=1S/C19H41N/c1-7-10-11-12-14-17(19(4,5)9-3)15-16-18(20-6)13-8-2/h17-18,20H,7-16H2,1-6H3
InChIKeyIWSOHOHMSYAFRK-UHFFFAOYSA-N
XLogP6.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.54
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-methyl-7-(2-methylbutan-2-yl)tridecan-4-amine?
The IUPAC name of N-methyl-7-(2-methylbutan-2-yl)tridecan-4-amine (CID 90799897) is N-methyl-7-(2-methylbutan-2-yl)tridecan-4-amine.
What is the SMILES notation for N-methyl-7-(2-methylbutan-2-yl)tridecan-4-amine?
The canonical SMILES for N-methyl-7-(2-methylbutan-2-yl)tridecan-4-amine is CCCCCCC(CCC(CCC)NC)C(C)(C)CC.
What is the InChIKey of N-methyl-7-(2-methylbutan-2-yl)tridecan-4-amine?
The InChIKey is IWSOHOHMSYAFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41N/c1-7-10-11-12-14-17(19(4,5)9-3)15-16-18(20-6)13-8-2/h17-18,20H,7-16H2,1-6H3.
What are the key properties of N-methyl-7-(2-methylbutan-2-yl)tridecan-4-amine?
N-methyl-7-(2-methylbutan-2-yl)tridecan-4-amine has a molecular weight of 283.54 g/mol, XLogP of 6.18, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-7-(2-methylbutan-2-yl)tridecan-4-amine is sourced from PubChem (CID 90799897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).