tert-butyl N-[6-(dipropylamino)-3-pyridinyl]carbamate

C16H27N3O2 — CID 113015728

IUPACtert-butyl N-[6-(dipropylamino)-3-pyridinyl]carbamate
SMILESCCCN(CCC)c1ccc(NC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C16H27N3O2/c1-6-10-19(11-7-2)14-9-8-13(12-17-14)18-15(20)21-16(3,4)5/h8-9,12H,6-7,10-11H2,1-5H3,(H,18,20)
InChIKeyRTIOWDRWNBBOSP-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.05
Rot. Bonds6

About tert-butyl N-[6-(dipropylamino)-3-pyridinyl]carbamate

tert-butyl N-[6-(dipropylamino)-3-pyridinyl]carbamate (PubChem CID 113015728) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is tert-butyl N-[6-(dipropylamino)-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-(dipropylamino)-3-pyridinyl]carbamate
PubChem CID113015728
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Nametert-butyl N-[6-(dipropylamino)-3-pyridinyl]carbamate
SMILESCCCN(CCC)c1ccc(NC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C16H27N3O2/c1-6-10-19(11-7-2)14-9-8-13(12-17-14)18-15(20)21-16(3,4)5/h8-9,12H,6-7,10-11H2,1-5H3,(H,18,20)
InChIKeyRTIOWDRWNBBOSP-UHFFFAOYSA-N
XLogP4.05
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[6-[formyl(pentyl)amino]-3-pyridinyl]carbamate
CID 123908026
2-amino-N-[6-(dipropylamino)-3-pyridinyl]acetamide
CID 39181823
tert-butyl N-[6-(N-methylanilino)-3-pyridinyl]carbamate
CID 113016500
tert-butyl N-[6-[benzyl(methyl)amino]-3-pyridinyl]carbamate
CID 113012011
5-N-ethyl-2-N,2-N-dipropylpyridine-2,5-diamine
CID 82104326
tert-butyl N-[6-(methoxymethyl)-3-pyridinyl]carbamate
CID 174674918
2-(4-bromophenyl)-N-[6-(dipropylamino)-3-pyridinyl]acetamide
CID 113015729
2,2,2-trifluoroethyl N-[6-(diethylamino)-3-pyridinyl]carbamate
CID 47002275
tert-butyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 65142733
diethyl oxalate;ethyl 4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]-2,4-dioxobutanoate
CID 157051826
diethyl 2-[[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carbonyl]amino]propanedioate
CID 69267799
tert-butyl N-(6-cyclopropyl-3-pyridinyl)carbamate
CID 130731444

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-(dipropylamino)-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[6-(dipropylamino)-3-pyridinyl]carbamate (CID 113015728) is tert-butyl N-[6-(dipropylamino)-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-(dipropylamino)-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[6-(dipropylamino)-3-pyridinyl]carbamate is CCCN(CCC)c1ccc(NC(=O)OC(C)(C)C)cn1.
What is the InChIKey of tert-butyl N-[6-(dipropylamino)-3-pyridinyl]carbamate?
The InChIKey is RTIOWDRWNBBOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-6-10-19(11-7-2)14-9-8-13(12-17-14)18-15(20)21-16(3,4)5/h8-9,12H,6-7,10-11H2,1-5H3,(H,18,20).
What are the key properties of tert-butyl N-[6-(dipropylamino)-3-pyridinyl]carbamate?
tert-butyl N-[6-(dipropylamino)-3-pyridinyl]carbamate has a molecular weight of 293.41 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-(dipropylamino)-3-pyridinyl]carbamate is sourced from PubChem (CID 113015728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).