tert-butyl N-[[6-[butan-2-yl(methyl)amino]-3-pyridinyl]methyl]carbamate

C16H27N3O2 — CID 174275722

IUPACtert-butyl N-[[6-[butan-2-yl(methyl)amino]-3-pyridinyl]methyl]carbamate
SMILESCCC(C)N(C)c1ccc(CNC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C16H27N3O2/c1-7-12(2)19(6)14-9-8-13(10-17-14)11-18-15(20)21-16(3,4)5/h8-10,12H,7,11H2,1-6H3,(H,18,20)
InChIKeySORPMSLKOQKQJW-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.34
Rot. Bonds5

About tert-butyl N-[[6-[butan-2-yl(methyl)amino]-3-pyridinyl]methyl]carbamate

tert-butyl N-[[6-[butan-2-yl(methyl)amino]-3-pyridinyl]methyl]carbamate (PubChem CID 174275722) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is tert-butyl N-[[6-[butan-2-yl(methyl)amino]-3-pyridinyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[6-[butan-2-yl(methyl)amino]-3-pyridinyl]methyl]carbamate
PubChem CID174275722
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Nametert-butyl N-[[6-[butan-2-yl(methyl)amino]-3-pyridinyl]methyl]carbamate
SMILESCCC(C)N(C)c1ccc(CNC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C16H27N3O2/c1-7-12(2)19(6)14-9-8-13(10-17-14)11-18-15(20)21-16(3,4)5/h8-10,12H,7,11H2,1-6H3,(H,18,20)
InChIKeySORPMSLKOQKQJW-UHFFFAOYSA-N
XLogP3.34
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[[6-[butan-2-yl(methyl)amino]-3-pyridinyl]methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(6-ethyl-3-pyridinyl)methyl]carbamate
CID 143422700
N-butan-2-yl-N-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 62281072
tert-butyl N-[(6-tert-butylsulfanyl-3-pyridinyl)methyl]carbamate
CID 102546900
tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 20739774
tert-butyl N-[(6-methylsulfanyl-3-pyridinyl)methyl]carbamate
CID 102546552
tert-butyl N-[2-[[N-[[6-(diethylamino)-3-pyridinyl]methyl]-N'-methylcarbamimidoyl]amino]ethyl]carbamate
CID 111885063
tert-butyl N-[[6-(1-aminocyclopropyl)-3-pyridinyl]methyl]carbamate
CID 67390801
tert-butyl N-[3-[[N-[[6-(diethylamino)-3-pyridinyl]methyl]-N'-methylcarbamimidoyl]amino]propyl]carbamate
CID 111887139
tert-butyl N-methyl-N-[5-(methylaminomethyl)-2-pyridinyl]carbamate
CID 145198356
tert-butyl N-[3-[6-(dimethylamino)-3-pyridinyl]-2,3-dihydroxypropyl]carbamate
CID 170832092
5-(ethylaminomethyl)-N-methyl-N-(3-methylbutan-2-yl)pyridin-2-amine
CID 62281875
5-(ethylaminomethyl)-N-(1-methoxypropan-2-yl)-N-methylpyridin-2-amine
CID 62283072

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[6-[butan-2-yl(methyl)amino]-3-pyridinyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[6-[butan-2-yl(methyl)amino]-3-pyridinyl]methyl]carbamate (CID 174275722) is tert-butyl N-[[6-[butan-2-yl(methyl)amino]-3-pyridinyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[6-[butan-2-yl(methyl)amino]-3-pyridinyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[6-[butan-2-yl(methyl)amino]-3-pyridinyl]methyl]carbamate is CCC(C)N(C)c1ccc(CNC(=O)OC(C)(C)C)cn1.
What is the InChIKey of tert-butyl N-[[6-[butan-2-yl(methyl)amino]-3-pyridinyl]methyl]carbamate?
The InChIKey is SORPMSLKOQKQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-7-12(2)19(6)14-9-8-13(10-17-14)11-18-15(20)21-16(3,4)5/h8-10,12H,7,11H2,1-6H3,(H,18,20).
What are the key properties of tert-butyl N-[[6-[butan-2-yl(methyl)amino]-3-pyridinyl]methyl]carbamate?
tert-butyl N-[[6-[butan-2-yl(methyl)amino]-3-pyridinyl]methyl]carbamate has a molecular weight of 293.41 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[6-[butan-2-yl(methyl)amino]-3-pyridinyl]methyl]carbamate is sourced from PubChem (CID 174275722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).