N'-(5-tert-butyl-2-pyridinyl)-N'-methylpentane-1,5-diamine

C15H27N3 — CID 107875723

IUPACN'-(5-tert-butyl-2-pyridinyl)-N'-methylpentane-1,5-diamine
SMILESCN(CCCCCN)c1ccc(C(C)(C)C)cn1
InChIInChI=1S/C15H27N3/c1-15(2,3)13-8-9-14(17-12-13)18(4)11-7-5-6-10-16/h8-9,12H,5-7,10-11,16H2,1-4H3
InChIKeyJIZPSYGHPKXDAB-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.94
Rot. Bonds6

About N'-(5-tert-butyl-2-pyridinyl)-N'-methylpentane-1,5-diamine

N'-(5-tert-butyl-2-pyridinyl)-N'-methylpentane-1,5-diamine (PubChem CID 107875723) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N'-(5-tert-butyl-2-pyridinyl)-N'-methylpentane-1,5-diamine.

Molecular Properties

Compound NameN'-(5-tert-butyl-2-pyridinyl)-N'-methylpentane-1,5-diamine
PubChem CID107875723
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN'-(5-tert-butyl-2-pyridinyl)-N'-methylpentane-1,5-diamine
SMILESCN(CCCCCN)c1ccc(C(C)(C)C)cn1
InChIInChI=1S/C15H27N3/c1-15(2,3)13-8-9-14(17-12-13)18(4)11-7-5-6-10-16/h8-9,12H,5-7,10-11,16H2,1-4H3
InChIKeyJIZPSYGHPKXDAB-UHFFFAOYSA-N
XLogP2.94
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.94
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

N'-(5-tert-butyl-2-pyridinyl)-N'-methylethane-1,2-diamine
CID 107875067
N'-methyl-N'-(5-methyl-2-pyridinyl)pentane-1,5-diamine
CID 107206914
N'-(5-tert-butyl-2-pyridinyl)-N,N'-dimethylethane-1,2-diamine
CID 107874362
N'-(5-tert-butyl-2-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine
CID 107874254
methyl 4-[(5-tert-butyl-2-pyridinyl)-methylamino]butanoate
CID 107875425
N'-(5-fluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine
CID 61311958
N-[4-(aminomethyl)phenyl]-5-tert-butyl-N-methylpyridin-2-amine
CID 107874273
N'-(5-fluoro-2-pyridinyl)-N'-methylethane-1,2-diamine
CID 62593517
N',2,2-trimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]propane-1,3-diamine
CID 79652291
N-tert-butyl-N'-methyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 62591788
N'-methyl-N'-pyridin-2-ylpropane-1,3-diamine;dihydrochloride
CID 134690924
2-(5-tert-butyl-2-pyridinyl)-N,N-dimethylethanamine
CID 59446206

Frequently Asked Questions

What is the IUPAC name of N'-(5-tert-butyl-2-pyridinyl)-N'-methylpentane-1,5-diamine?
The IUPAC name of N'-(5-tert-butyl-2-pyridinyl)-N'-methylpentane-1,5-diamine (CID 107875723) is N'-(5-tert-butyl-2-pyridinyl)-N'-methylpentane-1,5-diamine.
What is the SMILES notation for N'-(5-tert-butyl-2-pyridinyl)-N'-methylpentane-1,5-diamine?
The canonical SMILES for N'-(5-tert-butyl-2-pyridinyl)-N'-methylpentane-1,5-diamine is CN(CCCCCN)c1ccc(C(C)(C)C)cn1.
What is the InChIKey of N'-(5-tert-butyl-2-pyridinyl)-N'-methylpentane-1,5-diamine?
The InChIKey is JIZPSYGHPKXDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-15(2,3)13-8-9-14(17-12-13)18(4)11-7-5-6-10-16/h8-9,12H,5-7,10-11,16H2,1-4H3.
What are the key properties of N'-(5-tert-butyl-2-pyridinyl)-N'-methylpentane-1,5-diamine?
N'-(5-tert-butyl-2-pyridinyl)-N'-methylpentane-1,5-diamine has a molecular weight of 249.40 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-tert-butyl-2-pyridinyl)-N'-methylpentane-1,5-diamine is sourced from PubChem (CID 107875723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).