tert-butyl N-tert-butyl-N-[2-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]carbamate

C18H38N2O3 — CID 106144008

IUPACtert-butyl N-tert-butyl-N-[2-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]carbamate
SMILESCC(C)(CCCO)CNCCN(C(=O)OC(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H38N2O3/c1-16(2,3)20(15(22)23-17(4,5)6)12-11-19-14-18(7,8)10-9-13-21/h19,21H,9-14H2,1-8H3
InChIKeyPQNGVXRQCUCMIP-UHFFFAOYSA-N
MW330.51 g/mol
LogP3.41
Rot. Bonds8

About tert-butyl N-tert-butyl-N-[2-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]carbamate

tert-butyl N-tert-butyl-N-[2-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]carbamate (PubChem CID 106144008) has the molecular formula C18H38N2O3 and a molecular weight of 330.51 g/mol. Its IUPAC name is tert-butyl N-tert-butyl-N-[2-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-tert-butyl-N-[2-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]carbamate
PubChem CID106144008
Molecular FormulaC18H38N2O3
Molecular Weight330.51 g/mol
Exact Mass330.29
IUPAC Nametert-butyl N-tert-butyl-N-[2-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]carbamate
SMILESCC(C)(CCCO)CNCCN(C(=O)OC(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H38N2O3/c1-16(2,3)20(15(22)23-17(4,5)6)12-11-19-14-18(7,8)10-9-13-21/h19,21H,9-14H2,1-8H3
InChIKeyPQNGVXRQCUCMIP-UHFFFAOYSA-N
XLogP3.41
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.51
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-tert-butyl-N-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]ethyl]carbamate
CID 106144990
tert-butyl N-tert-butyl-N-[2-(cyclopropylmethylamino)ethyl]carbamate
CID 107444454
tert-butyl N-[2-[(4-amino-4-oxobutyl)amino]ethyl]-N-tert-butylcarbamate
CID 107445309
tert-butyl N-tert-butyl-N-[2-[(4-hydroxy-2-methylbutyl)amino]ethyl]carbamate
CID 107445802
tert-butyl N-tert-butyl-N-[2-(2-methoxyethylamino)ethyl]carbamate
CID 107444446
tert-butyl N-tert-butyl-N-[2-(tert-butylamino)ethyl]carbamate
CID 107444428
ethyl 3-[2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylamino]propanoate
CID 107445554
tert-butyl N-tert-butyl-N-[2-(2-methylsulfonylethylamino)ethyl]carbamate
CID 107445324
tert-butyl N-tert-butyl-N-[2-(methoxyamino)ethyl]carbamate
CID 107445980
5-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol
CID 106147208
tert-butyl N-tert-butyl-N-[2-(2-methoxypropylamino)ethyl]carbamate
CID 107446261
tert-butyl N-tert-butyl-N-[2-(2-methylbut-3-yn-2-ylamino)ethyl]carbamate
CID 107445680

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-tert-butyl-N-[2-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-tert-butyl-N-[2-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]carbamate (CID 106144008) is tert-butyl N-tert-butyl-N-[2-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-tert-butyl-N-[2-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-tert-butyl-N-[2-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]carbamate is CC(C)(CCCO)CNCCN(C(=O)OC(C)(C)C)C(C)(C)C.
What is the InChIKey of tert-butyl N-tert-butyl-N-[2-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]carbamate?
The InChIKey is PQNGVXRQCUCMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O3/c1-16(2,3)20(15(22)23-17(4,5)6)12-11-19-14-18(7,8)10-9-13-21/h19,21H,9-14H2,1-8H3.
What are the key properties of tert-butyl N-tert-butyl-N-[2-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]carbamate?
tert-butyl N-tert-butyl-N-[2-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]carbamate has a molecular weight of 330.51 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-tert-butyl-N-[2-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]carbamate is sourced from PubChem (CID 106144008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).