N'-tert-butyl-N-(3-pyridin-3-ylpropyl)propane-1,3-diamine

C15H27N3 — CID 113410445

IUPACN'-tert-butyl-N-(3-pyridin-3-ylpropyl)propane-1,3-diamine
SMILESCC(C)(C)NCCCNCCCc1cccnc1
InChIInChI=1S/C15H27N3/c1-15(2,3)18-12-6-11-16-9-4-7-14-8-5-10-17-13-14/h5,8,10,13,16,18H,4,6-7,9,11-12H2,1-3H3
InChIKeyZXYHAVWCFOGVDE-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.38
Rot. Bonds8

About N'-tert-butyl-N-(3-pyridin-3-ylpropyl)propane-1,3-diamine

N'-tert-butyl-N-(3-pyridin-3-ylpropyl)propane-1,3-diamine (PubChem CID 113410445) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N'-tert-butyl-N-(3-pyridin-3-ylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-(3-pyridin-3-ylpropyl)propane-1,3-diamine
PubChem CID113410445
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN'-tert-butyl-N-(3-pyridin-3-ylpropyl)propane-1,3-diamine
SMILESCC(C)(C)NCCCNCCCc1cccnc1
InChIInChI=1S/C15H27N3/c1-15(2,3)18-12-6-11-16-9-4-7-14-8-5-10-17-13-14/h5,8,10,13,16,18H,4,6-7,9,11-12H2,1-3H3
InChIKeyZXYHAVWCFOGVDE-UHFFFAOYSA-N
XLogP2.38
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-difluoroethyl)-3-pyridin-3-ylpropan-1-amine
CID 115407048
N-methyl-14-pyridin-3-yltetradecan-1-amine
CID 11001217
N'-tert-butyl-N-(4-phenylbutyl)ethane-1,2-diamine
CID 113405378
2-methyl-2-N-(2-pyridin-3-ylethyl)propane-1,2-diamine
CID 115132207
3-methylsulfonyl-N-(2-pyridin-3-ylethyl)propan-1-amine
CID 63190850
3-(4,4-dimethylhexyl)pyridine
CID 54117003
2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-4-ylmethyl)propan-2-amine
CID 159685342
3-methyl-N-(2-pyridin-3-ylethyl)but-3-en-1-amine
CID 114472077
N-[(2-methylpropan-2-yl)oxy]-2-pyridin-3-ylethanamine
CID 82724326
N-tert-butyl-4-(6-methyl-3-pyridinyl)butan-1-amine
CID 104823808
N-tert-butyl-2-(2-pyridin-3-ylethylamino)acetamide
CID 60912742
1-propyl-3-(3-pyridin-3-ylpropyl)urea
CID 110400279

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-(3-pyridin-3-ylpropyl)propane-1,3-diamine?
The IUPAC name of N'-tert-butyl-N-(3-pyridin-3-ylpropyl)propane-1,3-diamine (CID 113410445) is N'-tert-butyl-N-(3-pyridin-3-ylpropyl)propane-1,3-diamine.
What is the SMILES notation for N'-tert-butyl-N-(3-pyridin-3-ylpropyl)propane-1,3-diamine?
The canonical SMILES for N'-tert-butyl-N-(3-pyridin-3-ylpropyl)propane-1,3-diamine is CC(C)(C)NCCCNCCCc1cccnc1.
What is the InChIKey of N'-tert-butyl-N-(3-pyridin-3-ylpropyl)propane-1,3-diamine?
The InChIKey is ZXYHAVWCFOGVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-15(2,3)18-12-6-11-16-9-4-7-14-8-5-10-17-13-14/h5,8,10,13,16,18H,4,6-7,9,11-12H2,1-3H3.
What are the key properties of N'-tert-butyl-N-(3-pyridin-3-ylpropyl)propane-1,3-diamine?
N'-tert-butyl-N-(3-pyridin-3-ylpropyl)propane-1,3-diamine has a molecular weight of 249.40 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-(3-pyridin-3-ylpropyl)propane-1,3-diamine is sourced from PubChem (CID 113410445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).