5-tert-butyl-N-(3-chloropropyl)-N-propan-2-ylpyridin-2-amine

C15H25ClN2 — CID 114011707

IUPAC5-tert-butyl-N-(3-chloropropyl)-N-propan-2-ylpyridin-2-amine
SMILESCC(C)N(CCCCl)c1ccc(C(C)(C)C)cn1
InChIInChI=1S/C15H25ClN2/c1-12(2)18(10-6-9-16)14-8-7-13(11-17-14)15(3,4)5/h7-8,11-12H,6,9-10H2,1-5H3
InChIKeyNPPVDKNQECYKRZ-UHFFFAOYSA-N
MW268.83 g/mol
LogP4.22
Rot. Bonds5

About 5-tert-butyl-N-(3-chloropropyl)-N-propan-2-ylpyridin-2-amine

5-tert-butyl-N-(3-chloropropyl)-N-propan-2-ylpyridin-2-amine (PubChem CID 114011707) has the molecular formula C15H25ClN2 and a molecular weight of 268.83 g/mol. Its IUPAC name is 5-tert-butyl-N-(3-chloropropyl)-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name5-tert-butyl-N-(3-chloropropyl)-N-propan-2-ylpyridin-2-amine
PubChem CID114011707
Molecular FormulaC15H25ClN2
Molecular Weight268.83 g/mol
Exact Mass268.17
IUPAC Name5-tert-butyl-N-(3-chloropropyl)-N-propan-2-ylpyridin-2-amine
SMILESCC(C)N(CCCCl)c1ccc(C(C)(C)C)cn1
InChIInChI=1S/C15H25ClN2/c1-12(2)18(10-6-9-16)14-8-7-13(11-17-14)15(3,4)5/h7-8,11-12H,6,9-10H2,1-5H3
InChIKeyNPPVDKNQECYKRZ-UHFFFAOYSA-N
XLogP4.22
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.83
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-tert-butyl-2-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine
CID 107874254
5-bromo-N-(3-chloropropyl)-N-propan-2-ylpyridin-2-amine
CID 63388923
3-[propan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol
CID 61146387
N-(3-bromopropyl)-5-chloro-N-propan-2-ylpyridin-2-amine
CID 80674565
3-[(5-fluoro-2-pyridinyl)-propan-2-ylamino]propan-1-ol
CID 61314147
N-(3-chloropropyl)-N-propan-2-yl-1,2,4-benzotriazin-3-amine
CID 103205065
2-[(5-chloro-2-pyridinyl)-propan-2-ylamino]ethanol
CID 61150137
N-(2-bromoethyl)-5-chloro-N-propan-2-ylpyridin-2-amine
CID 80670472
N-(3-chloropropyl)-N-propan-2-yl-6-propylpyrimidin-4-amine
CID 63388681
6-[3-hydroxypropyl(propan-2-yl)amino]pyridine-3-carbaldehyde
CID 80636803
5-(bromomethyl)-N-pentyl-N-propan-2-ylpyridin-2-amine
CID 107081903
N'-(5-tert-butyl-2-pyridinyl)-N'-methylethane-1,2-diamine
CID 107875067

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(3-chloropropyl)-N-propan-2-ylpyridin-2-amine?
The IUPAC name of 5-tert-butyl-N-(3-chloropropyl)-N-propan-2-ylpyridin-2-amine (CID 114011707) is 5-tert-butyl-N-(3-chloropropyl)-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 5-tert-butyl-N-(3-chloropropyl)-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for 5-tert-butyl-N-(3-chloropropyl)-N-propan-2-ylpyridin-2-amine is CC(C)N(CCCCl)c1ccc(C(C)(C)C)cn1.
What is the InChIKey of 5-tert-butyl-N-(3-chloropropyl)-N-propan-2-ylpyridin-2-amine?
The InChIKey is NPPVDKNQECYKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2/c1-12(2)18(10-6-9-16)14-8-7-13(11-17-14)15(3,4)5/h7-8,11-12H,6,9-10H2,1-5H3.
What are the key properties of 5-tert-butyl-N-(3-chloropropyl)-N-propan-2-ylpyridin-2-amine?
5-tert-butyl-N-(3-chloropropyl)-N-propan-2-ylpyridin-2-amine has a molecular weight of 268.83 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(3-chloropropyl)-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 114011707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).