tert-butyl N-[3-[(1-hydroxy-3,3-dimethylbutan-2-yl)-methylamino]propyl]-N-methylcarbamate

C16H34N2O3 — CID 119037331

IUPACtert-butyl N-[3-[(1-hydroxy-3,3-dimethylbutan-2-yl)-methylamino]propyl]-N-methylcarbamate
SMILESCN(CCCN(C)C(CO)C(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C16H34N2O3/c1-15(2,3)13(12-19)17(7)10-9-11-18(8)14(20)21-16(4,5)6/h13,19H,9-12H2,1-8H3
InChIKeyGYKVLFPXMRFWLM-UHFFFAOYSA-N
MW302.46 g/mol
LogP2.58
Rot. Bonds6

About tert-butyl N-[3-[(1-hydroxy-3,3-dimethylbutan-2-yl)-methylamino]propyl]-N-methylcarbamate

tert-butyl N-[3-[(1-hydroxy-3,3-dimethylbutan-2-yl)-methylamino]propyl]-N-methylcarbamate (PubChem CID 119037331) has the molecular formula C16H34N2O3 and a molecular weight of 302.46 g/mol. Its IUPAC name is tert-butyl N-[3-[(1-hydroxy-3,3-dimethylbutan-2-yl)-methylamino]propyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(1-hydroxy-3,3-dimethylbutan-2-yl)-methylamino]propyl]-N-methylcarbamate
PubChem CID119037331
Molecular FormulaC16H34N2O3
Molecular Weight302.46 g/mol
Exact Mass302.26
IUPAC Nametert-butyl N-[3-[(1-hydroxy-3,3-dimethylbutan-2-yl)-methylamino]propyl]-N-methylcarbamate
SMILESCN(CCCN(C)C(CO)C(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C16H34N2O3/c1-15(2,3)13(12-19)17(7)10-9-11-18(8)14(20)21-16(4,5)6/h13,19H,9-12H2,1-8H3
InChIKeyGYKVLFPXMRFWLM-UHFFFAOYSA-N
XLogP2.58
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-[[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-methylamino]propyl]-N-methylcarbamate
CID 100654760
tert-butyl N-methyl-N-(3-trimethylsilylpropyl)carbamate
CID 159187536
tert-butyl N-(4-hydroxypentyl)-N-methylcarbamate
CID 23122203
tert-butyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
CID 163409952
tert-butyl N-[4-(dimethylamino)-4-oxobutyl]-N-methylcarbamate
CID 19757668
tert-butyl N-(9-bromononyl)-N-methylcarbamate
CID 166638484
tert-butyl N-[4-[[(3S)-1-butoxy-4-methyl-2-oxopentan-3-yl]-methylamino]butyl]-N-methylcarbamate
CID 118930201
tert-butyl N-methyl-N-[3-(propan-2-ylamino)propyl]carbamate
CID 86663469
tert-butyl N-(3-amino-4,4-dimethylpentyl)-N-methylcarbamate
CID 155943485
tert-butyl N-methyl-N-pent-4-enylcarbamate
CID 20756745
tert-butyl N-methyl-N-[4-(propan-2-ylamino)butyl]carbamate
CID 58244816
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylazanium
CID 7006641

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(1-hydroxy-3,3-dimethylbutan-2-yl)-methylamino]propyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[3-[(1-hydroxy-3,3-dimethylbutan-2-yl)-methylamino]propyl]-N-methylcarbamate (CID 119037331) is tert-butyl N-[3-[(1-hydroxy-3,3-dimethylbutan-2-yl)-methylamino]propyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[3-[(1-hydroxy-3,3-dimethylbutan-2-yl)-methylamino]propyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[3-[(1-hydroxy-3,3-dimethylbutan-2-yl)-methylamino]propyl]-N-methylcarbamate is CN(CCCN(C)C(CO)C(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-[(1-hydroxy-3,3-dimethylbutan-2-yl)-methylamino]propyl]-N-methylcarbamate?
The InChIKey is GYKVLFPXMRFWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O3/c1-15(2,3)13(12-19)17(7)10-9-11-18(8)14(20)21-16(4,5)6/h13,19H,9-12H2,1-8H3.
What are the key properties of tert-butyl N-[3-[(1-hydroxy-3,3-dimethylbutan-2-yl)-methylamino]propyl]-N-methylcarbamate?
tert-butyl N-[3-[(1-hydroxy-3,3-dimethylbutan-2-yl)-methylamino]propyl]-N-methylcarbamate has a molecular weight of 302.46 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(1-hydroxy-3,3-dimethylbutan-2-yl)-methylamino]propyl]-N-methylcarbamate is sourced from PubChem (CID 119037331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).