5-butyl-N-(3,3-dimethylbutyl)-N-nonan-5-ylpyrimidin-2-amine

C23H43N3 — CID 18735580

IUPAC5-butyl-N-(3,3-dimethylbutyl)-N-nonan-5-ylpyrimidin-2-amine
SMILESCCCCc1cnc(N(CCC(C)(C)C)C(CCCC)CCCC)nc1
InChIInChI=1S/C23H43N3/c1-7-10-13-20-18-24-22(25-19-20)26(17-16-23(4,5)6)21(14-11-8-2)15-12-9-3/h18-19,21H,7-17H2,1-6H3
InChIKeyKKCGBLHWGSMLRT-UHFFFAOYSA-N
MW361.62 g/mol
LogP6.81
Rot. Bonds13

About 5-butyl-N-(3,3-dimethylbutyl)-N-nonan-5-ylpyrimidin-2-amine

5-butyl-N-(3,3-dimethylbutyl)-N-nonan-5-ylpyrimidin-2-amine (PubChem CID 18735580) has the molecular formula C23H43N3 and a molecular weight of 361.62 g/mol. Its IUPAC name is 5-butyl-N-(3,3-dimethylbutyl)-N-nonan-5-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-butyl-N-(3,3-dimethylbutyl)-N-nonan-5-ylpyrimidin-2-amine
PubChem CID18735580
Molecular FormulaC23H43N3
Molecular Weight361.62 g/mol
Exact Mass361.35
IUPAC Name5-butyl-N-(3,3-dimethylbutyl)-N-nonan-5-ylpyrimidin-2-amine
SMILESCCCCc1cnc(N(CCC(C)(C)C)C(CCCC)CCCC)nc1
InChIInChI=1S/C23H43N3/c1-7-10-13-20-18-24-22(25-19-20)26(17-16-23(4,5)6)21(14-11-8-2)15-12-9-3/h18-19,21H,7-17H2,1-6H3
InChIKeyKKCGBLHWGSMLRT-UHFFFAOYSA-N
XLogP6.81
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.62
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-N-(3,3-dimethylbutyl)-N-nonan-5-ylpyrimidin-2-amine?
The IUPAC name of 5-butyl-N-(3,3-dimethylbutyl)-N-nonan-5-ylpyrimidin-2-amine (CID 18735580) is 5-butyl-N-(3,3-dimethylbutyl)-N-nonan-5-ylpyrimidin-2-amine.
What is the SMILES notation for 5-butyl-N-(3,3-dimethylbutyl)-N-nonan-5-ylpyrimidin-2-amine?
The canonical SMILES for 5-butyl-N-(3,3-dimethylbutyl)-N-nonan-5-ylpyrimidin-2-amine is CCCCc1cnc(N(CCC(C)(C)C)C(CCCC)CCCC)nc1.
What is the InChIKey of 5-butyl-N-(3,3-dimethylbutyl)-N-nonan-5-ylpyrimidin-2-amine?
The InChIKey is KKCGBLHWGSMLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43N3/c1-7-10-13-20-18-24-22(25-19-20)26(17-16-23(4,5)6)21(14-11-8-2)15-12-9-3/h18-19,21H,7-17H2,1-6H3.
What are the key properties of 5-butyl-N-(3,3-dimethylbutyl)-N-nonan-5-ylpyrimidin-2-amine?
5-butyl-N-(3,3-dimethylbutyl)-N-nonan-5-ylpyrimidin-2-amine has a molecular weight of 361.62 g/mol, XLogP of 6.81, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-N-(3,3-dimethylbutyl)-N-nonan-5-ylpyrimidin-2-amine is sourced from PubChem (CID 18735580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).