tert-butyl N-tert-butyl-N-[2-[(6-chloro-3-pyridinyl)amino]ethyl]carbamate

C16H26ClN3O2 — CID 107445970

IUPACtert-butyl N-tert-butyl-N-[2-[(6-chloro-3-pyridinyl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCNc1ccc(Cl)nc1)C(C)(C)C
InChIInChI=1S/C16H26ClN3O2/c1-15(2,3)20(14(21)22-16(4,5)6)10-9-18-12-7-8-13(17)19-11-12/h7-8,11,18H,9-10H2,1-6H3
InChIKeyONXVWQROAKUXBJ-UHFFFAOYSA-N
MW327.86 g/mol
LogP4.18
Rot. Bonds4

About tert-butyl N-tert-butyl-N-[2-[(6-chloro-3-pyridinyl)amino]ethyl]carbamate

tert-butyl N-tert-butyl-N-[2-[(6-chloro-3-pyridinyl)amino]ethyl]carbamate (PubChem CID 107445970) has the molecular formula C16H26ClN3O2 and a molecular weight of 327.86 g/mol. Its IUPAC name is tert-butyl N-tert-butyl-N-[2-[(6-chloro-3-pyridinyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-tert-butyl-N-[2-[(6-chloro-3-pyridinyl)amino]ethyl]carbamate
PubChem CID107445970
Molecular FormulaC16H26ClN3O2
Molecular Weight327.86 g/mol
Exact Mass327.17
IUPAC Nametert-butyl N-tert-butyl-N-[2-[(6-chloro-3-pyridinyl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCNc1ccc(Cl)nc1)C(C)(C)C
InChIInChI=1S/C16H26ClN3O2/c1-15(2,3)20(14(21)22-16(4,5)6)10-9-18-12-7-8-13(17)19-11-12/h7-8,11,18H,9-10H2,1-6H3
InChIKeyONXVWQROAKUXBJ-UHFFFAOYSA-N
XLogP4.18
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-tert-butyl-N-[2-(4-hydroxyanilino)ethyl]carbamate
CID 107445236
tert-butyl N-[2-[(6-chloro-3-pyridinyl)amino]ethyl]carbamate
CID 112639562
tert-butyl N-tert-butyl-N-[2-(1H-pyrazol-4-ylamino)ethyl]carbamate
CID 107444832
tert-butyl N-tert-butyl-N-[2-(2,6-difluoroanilino)ethyl]carbamate
CID 107444769
tert-butyl N-tert-butyl-N-[2-(tert-butylamino)ethyl]carbamate
CID 107444428
tert-butyl N-[2-(benzylamino)ethyl]-N-tert-butylcarbamate
CID 107444459
tert-butyl N-tert-butyl-N-[2-(methoxyamino)ethyl]carbamate
CID 107445980
tert-butyl N-tert-butyl-N-[2-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]carbamate
CID 106369545
tert-butyl N-tert-butyl-N-[2-[2-(1H-imidazol-5-yl)ethylamino]ethyl]carbamate
CID 107445762
tert-butyl N-[2-[bis[(6-chloro-3-pyridinyl)methyl]amino]ethyl]carbamate
CID 87330988
tert-butyl N-tert-butyl-N-[2-(2-methoxyethylamino)ethyl]carbamate
CID 107444446
tert-butyl N-tert-butyl-N-[2-[(4-hydroxyphenyl)methylamino]ethyl]carbamate
CID 107446229

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-tert-butyl-N-[2-[(6-chloro-3-pyridinyl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-tert-butyl-N-[2-[(6-chloro-3-pyridinyl)amino]ethyl]carbamate (CID 107445970) is tert-butyl N-tert-butyl-N-[2-[(6-chloro-3-pyridinyl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-tert-butyl-N-[2-[(6-chloro-3-pyridinyl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-tert-butyl-N-[2-[(6-chloro-3-pyridinyl)amino]ethyl]carbamate is CC(C)(C)OC(=O)N(CCNc1ccc(Cl)nc1)C(C)(C)C.
What is the InChIKey of tert-butyl N-tert-butyl-N-[2-[(6-chloro-3-pyridinyl)amino]ethyl]carbamate?
The InChIKey is ONXVWQROAKUXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3O2/c1-15(2,3)20(14(21)22-16(4,5)6)10-9-18-12-7-8-13(17)19-11-12/h7-8,11,18H,9-10H2,1-6H3.
What are the key properties of tert-butyl N-tert-butyl-N-[2-[(6-chloro-3-pyridinyl)amino]ethyl]carbamate?
tert-butyl N-tert-butyl-N-[2-[(6-chloro-3-pyridinyl)amino]ethyl]carbamate has a molecular weight of 327.86 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-tert-butyl-N-[2-[(6-chloro-3-pyridinyl)amino]ethyl]carbamate is sourced from PubChem (CID 107445970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).