N'-(5-tert-butyl-2-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine

C15H27N3 — CID 107874254

IUPACN'-(5-tert-butyl-2-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(C)N(CCCN)c1ccc(C(C)(C)C)cn1
InChIInChI=1S/C15H27N3/c1-12(2)18(10-6-9-16)14-8-7-13(11-17-14)15(3,4)5/h7-8,11-12H,6,9-10,16H2,1-5H3
InChIKeyVXOLHXMKPLGUJX-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.94
Rot. Bonds5

About N'-(5-tert-butyl-2-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine

N'-(5-tert-butyl-2-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 107874254) 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'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(5-tert-butyl-2-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine
PubChem CID107874254
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN'-(5-tert-butyl-2-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(C)N(CCCN)c1ccc(C(C)(C)C)cn1
InChIInChI=1S/C15H27N3/c1-12(2)18(10-6-9-16)14-8-7-13(11-17-14)15(3,4)5/h7-8,11-12H,6,9-10,16H2,1-5H3
InChIKeyVXOLHXMKPLGUJX-UHFFFAOYSA-N
XLogP2.94
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

5-tert-butyl-N-(3-chloropropyl)-N-propan-2-ylpyridin-2-amine
CID 114011707
N'-(5-tert-butyl-2-pyridinyl)-N'-methylpentane-1,5-diamine
CID 107875723
3-[propan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol
CID 61146387
N'-(5-tert-butyl-2-pyridinyl)-N'-methylethane-1,2-diamine
CID 107875067
N'-(5-methyl-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine
CID 62587286
N-(3-bromopropyl)-5-chloro-N-propan-2-ylpyridin-2-amine
CID 80674565
5-bromo-N-(3-chloropropyl)-N-propan-2-ylpyridin-2-amine
CID 63388923
N'-propan-2-yl-N'-quinazolin-2-ylpropane-1,3-diamine
CID 114788668
3-[(5-fluoro-2-pyridinyl)-propan-2-ylamino]propan-1-ol
CID 61314147
N-(2-bromoethyl)-5-chloro-N-propan-2-ylpyridin-2-amine
CID 80670472
2-[(5-chloro-2-pyridinyl)-propan-2-ylamino]ethanol
CID 61150137
6-[3-hydroxypropyl(propan-2-yl)amino]pyridine-3-carbaldehyde
CID 80636803

Frequently Asked Questions

What is the IUPAC name of N'-(5-tert-butyl-2-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-(5-tert-butyl-2-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine (CID 107874254) is N'-(5-tert-butyl-2-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-(5-tert-butyl-2-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-(5-tert-butyl-2-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine is CC(C)N(CCCN)c1ccc(C(C)(C)C)cn1.
What is the InChIKey of N'-(5-tert-butyl-2-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is VXOLHXMKPLGUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-12(2)18(10-6-9-16)14-8-7-13(11-17-14)15(3,4)5/h7-8,11-12H,6,9-10,16H2,1-5H3.
What are the key properties of N'-(5-tert-butyl-2-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine?
N'-(5-tert-butyl-2-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 249.40 g/mol, XLogP of 2.94, 5 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'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 107874254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).