N-(3,3-dimethylbutyl)-5-methyl-N-pentan-2-ylpyridin-2-amine

C17H30N2 — CID 18735789

IUPACN-(3,3-dimethylbutyl)-5-methyl-N-pentan-2-ylpyridin-2-amine
SMILESCCCC(C)N(CCC(C)(C)C)c1ccc(C)cn1
InChIInChI=1S/C17H30N2/c1-7-8-15(3)19(12-11-17(4,5)6)16-10-9-14(2)13-18-16/h9-10,13,15H,7-8,11-12H2,1-6H3
InChIKeyDVKYWDQFCMWUPY-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.82
Rot. Bonds6

About N-(3,3-dimethylbutyl)-5-methyl-N-pentan-2-ylpyridin-2-amine

N-(3,3-dimethylbutyl)-5-methyl-N-pentan-2-ylpyridin-2-amine (PubChem CID 18735789) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-5-methyl-N-pentan-2-ylpyridin-2-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-5-methyl-N-pentan-2-ylpyridin-2-amine
PubChem CID18735789
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN-(3,3-dimethylbutyl)-5-methyl-N-pentan-2-ylpyridin-2-amine
SMILESCCCC(C)N(CCC(C)(C)C)c1ccc(C)cn1
InChIInChI=1S/C17H30N2/c1-7-8-15(3)19(12-11-17(4,5)6)16-10-9-14(2)13-18-16/h9-10,13,15H,7-8,11-12H2,1-6H3
InChIKeyDVKYWDQFCMWUPY-UHFFFAOYSA-N
XLogP4.82
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-5-methyl-N-pentan-2-ylpyridin-2-amine?
The IUPAC name of N-(3,3-dimethylbutyl)-5-methyl-N-pentan-2-ylpyridin-2-amine (CID 18735789) is N-(3,3-dimethylbutyl)-5-methyl-N-pentan-2-ylpyridin-2-amine.
What is the SMILES notation for N-(3,3-dimethylbutyl)-5-methyl-N-pentan-2-ylpyridin-2-amine?
The canonical SMILES for N-(3,3-dimethylbutyl)-5-methyl-N-pentan-2-ylpyridin-2-amine is CCCC(C)N(CCC(C)(C)C)c1ccc(C)cn1.
What is the InChIKey of N-(3,3-dimethylbutyl)-5-methyl-N-pentan-2-ylpyridin-2-amine?
The InChIKey is DVKYWDQFCMWUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-7-8-15(3)19(12-11-17(4,5)6)16-10-9-14(2)13-18-16/h9-10,13,15H,7-8,11-12H2,1-6H3.
What are the key properties of N-(3,3-dimethylbutyl)-5-methyl-N-pentan-2-ylpyridin-2-amine?
N-(3,3-dimethylbutyl)-5-methyl-N-pentan-2-ylpyridin-2-amine has a molecular weight of 262.44 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-5-methyl-N-pentan-2-ylpyridin-2-amine is sourced from PubChem (CID 18735789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).