5-N-(4-tert-butylphenyl)-2-N,2-N-dihexylpyridine-2,5-diamine

C27H43N3 — CID 146305639

IUPAC5-N-(4-tert-butylphenyl)-2-N,2-N-dihexylpyridine-2,5-diamine
SMILESCCCCCCN(CCCCCC)c1ccc(Nc2ccc(C(C)(C)C)cc2)cn1
InChIInChI=1S/C27H43N3/c1-6-8-10-12-20-30(21-13-11-9-7-2)26-19-18-25(22-28-26)29-24-16-14-23(15-17-24)27(3,4)5/h14-19,22,29H,6-13,20-21H2,1-5H3
InChIKeyZOWDFTJWDSNYNX-UHFFFAOYSA-N
MW409.66 g/mol
LogP8.09
Rot. Bonds13

About 5-N-(4-tert-butylphenyl)-2-N,2-N-dihexylpyridine-2,5-diamine

5-N-(4-tert-butylphenyl)-2-N,2-N-dihexylpyridine-2,5-diamine (PubChem CID 146305639) has the molecular formula C27H43N3 and a molecular weight of 409.66 g/mol. Its IUPAC name is 5-N-(4-tert-butylphenyl)-2-N,2-N-dihexylpyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-(4-tert-butylphenyl)-2-N,2-N-dihexylpyridine-2,5-diamine
PubChem CID146305639
Molecular FormulaC27H43N3
Molecular Weight409.66 g/mol
Exact Mass409.35
IUPAC Name5-N-(4-tert-butylphenyl)-2-N,2-N-dihexylpyridine-2,5-diamine
SMILESCCCCCCN(CCCCCC)c1ccc(Nc2ccc(C(C)(C)C)cc2)cn1
InChIInChI=1S/C27H43N3/c1-6-8-10-12-20-30(21-13-11-9-7-2)26-19-18-25(22-28-26)29-24-16-14-23(15-17-24)27(3,4)5/h14-19,22,29H,6-13,20-21H2,1-5H3
InChIKeyZOWDFTJWDSNYNX-UHFFFAOYSA-N
XLogP8.09
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.66
LogP ≤ 58.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-N-ethyl-2-N,2-N-dipropylpyridine-2,5-diamine
CID 82104326
6-octyl-N-(6-octyl-3-pyridinyl)pyridin-3-amine
CID 90299637
4-tert-butyl-N-[6-[butyl(methyl)amino]-3-pyridinyl]benzenesulfonamide
CID 113015435
4-butyl-N-(4-tert-butylphenyl)aniline
CID 70153981
5-benzyl-N,N-dihexylpyrimidin-2-amine;5-benzyl-N,N-dimethylpyrimidin-2-amine;5-[(4-tert-butylphenyl)methyl]-N,N-dimethylpyrimidin-2-amine;5-[(4-tert-butylphenyl)methyl]-N,N-dioctylpyrimidin-2-amine;N,N-dibutyl-5-[[2-(dibutylamino)pyrimidin-5-yl]methyl]pyrimidin-2-amine;N,N-dibutyl-5-[[6-(dihexylamino)-3-pyridinyl]methyl]pyrimidin-2-amine;N,N-dibutyl-5-[(2-heptylpyrimidin-5-yl)methyl]pyrimidin-2-amine;2-heptyl-5-[(2-heptylpyrimidin-5-yl)methyl]pyrimidine
CID 159429268
4-N-butyl-6-N-(4-tert-butylphenyl)-4-N-methylpyrimidine-4,6-diamine
CID 112864217
tert-butyl N-[6-(dipropylamino)-3-pyridinyl]carbamate
CID 113015728
5-N-butyl-3-N-(4-tert-butylphenyl)-1,2,4-triazine-3,5-diamine
CID 112939983
6-N-butyl-4-N-(4-tert-butylphenyl)pyrimidine-4,6-diamine
CID 112855172
tert-butyl N-[6-[formyl(pentyl)amino]-3-pyridinyl]carbamate
CID 123908026
N-(4-tert-butylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195848
5-bromo-N-(2-bromoethyl)-N-butylpyridin-2-amine
CID 80669398

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-tert-butylphenyl)-2-N,2-N-dihexylpyridine-2,5-diamine?
The IUPAC name of 5-N-(4-tert-butylphenyl)-2-N,2-N-dihexylpyridine-2,5-diamine (CID 146305639) is 5-N-(4-tert-butylphenyl)-2-N,2-N-dihexylpyridine-2,5-diamine.
What is the SMILES notation for 5-N-(4-tert-butylphenyl)-2-N,2-N-dihexylpyridine-2,5-diamine?
The canonical SMILES for 5-N-(4-tert-butylphenyl)-2-N,2-N-dihexylpyridine-2,5-diamine is CCCCCCN(CCCCCC)c1ccc(Nc2ccc(C(C)(C)C)cc2)cn1.
What is the InChIKey of 5-N-(4-tert-butylphenyl)-2-N,2-N-dihexylpyridine-2,5-diamine?
The InChIKey is ZOWDFTJWDSNYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H43N3/c1-6-8-10-12-20-30(21-13-11-9-7-2)26-19-18-25(22-28-26)29-24-16-14-23(15-17-24)27(3,4)5/h14-19,22,29H,6-13,20-21H2,1-5H3.
What are the key properties of 5-N-(4-tert-butylphenyl)-2-N,2-N-dihexylpyridine-2,5-diamine?
5-N-(4-tert-butylphenyl)-2-N,2-N-dihexylpyridine-2,5-diamine has a molecular weight of 409.66 g/mol, XLogP of 8.09, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-tert-butylphenyl)-2-N,2-N-dihexylpyridine-2,5-diamine is sourced from PubChem (CID 146305639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).