tert-butyl N-[2-[[2-(2-hydroxyethyl)pentylamino]methyl]-3-methylbutyl]carbamate

C18H38N2O3 — CID 106114206

IUPACtert-butyl N-[2-[[2-(2-hydroxyethyl)pentylamino]methyl]-3-methylbutyl]carbamate
SMILESCCCC(CCO)CNCC(CNC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C18H38N2O3/c1-7-8-15(9-10-21)11-19-12-16(14(2)3)13-20-17(22)23-18(4,5)6/h14-16,19,21H,7-13H2,1-6H3,(H,20,22)
InChIKeyYWMKCWFNKIMSJJ-UHFFFAOYSA-N
MW330.51 g/mol
LogP3.17
Rot. Bonds11

About tert-butyl N-[2-[[2-(2-hydroxyethyl)pentylamino]methyl]-3-methylbutyl]carbamate

tert-butyl N-[2-[[2-(2-hydroxyethyl)pentylamino]methyl]-3-methylbutyl]carbamate (PubChem CID 106114206) has the molecular formula C18H38N2O3 and a molecular weight of 330.51 g/mol. Its IUPAC name is tert-butyl N-[2-[[2-(2-hydroxyethyl)pentylamino]methyl]-3-methylbutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[2-(2-hydroxyethyl)pentylamino]methyl]-3-methylbutyl]carbamate
PubChem CID106114206
Molecular FormulaC18H38N2O3
Molecular Weight330.51 g/mol
Exact Mass330.29
IUPAC Nametert-butyl N-[2-[[2-(2-hydroxyethyl)pentylamino]methyl]-3-methylbutyl]carbamate
SMILESCCCC(CCO)CNCC(CNC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C18H38N2O3/c1-7-8-15(9-10-21)11-19-12-16(14(2)3)13-20-17(22)23-18(4,5)6/h14-16,19,21H,7-13H2,1-6H3,(H,20,22)
InChIKeyYWMKCWFNKIMSJJ-UHFFFAOYSA-N
XLogP3.17
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.51
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[(2,3-dimethylbutylamino)methyl]-3-methylbutyl]carbamate
CID 107442310
tert-butyl N-[2-[[(2-hydroxy-3-methylbutyl)amino]methyl]-3-methylbutyl]carbamate
CID 107442782
tert-butyl N-[3-methyl-2-[(4-methylpentylamino)methyl]butyl]carbamate
CID 107441983
tert-butyl N-[2-[[3-(diethylamino)propylamino]methyl]-3-methylbutyl]carbamate
CID 107441056
ethyl 3-[[3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butyl]amino]propanoate
CID 107442125
tert-butyl N-[2-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]-3-methylbutyl]carbamate
CID 107442562
ethyl 2-[[3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butyl]amino]propanoate
CID 107442062
tert-butyl N-[3-methyl-2-[(3-methylsulfanylpropylamino)methyl]butyl]carbamate
CID 107442261
tert-butyl N-[2-(heptan-4-ylamino)propyl]carbamate
CID 107248426
3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]hexanoic acid
CID 139358946
tert-butyl N-[2-[(4-hydroxypentan-2-ylamino)methyl]-3-methylbutyl]carbamate
CID 107442650
tert-butyl N-[2-(1-hydroxypentan-3-ylamino)propyl]carbamate
CID 103391068

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[2-(2-hydroxyethyl)pentylamino]methyl]-3-methylbutyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[2-(2-hydroxyethyl)pentylamino]methyl]-3-methylbutyl]carbamate (CID 106114206) is tert-butyl N-[2-[[2-(2-hydroxyethyl)pentylamino]methyl]-3-methylbutyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[2-(2-hydroxyethyl)pentylamino]methyl]-3-methylbutyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[2-(2-hydroxyethyl)pentylamino]methyl]-3-methylbutyl]carbamate is CCCC(CCO)CNCC(CNC(=O)OC(C)(C)C)C(C)C.
What is the InChIKey of tert-butyl N-[2-[[2-(2-hydroxyethyl)pentylamino]methyl]-3-methylbutyl]carbamate?
The InChIKey is YWMKCWFNKIMSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O3/c1-7-8-15(9-10-21)11-19-12-16(14(2)3)13-20-17(22)23-18(4,5)6/h14-16,19,21H,7-13H2,1-6H3,(H,20,22).
What are the key properties of tert-butyl N-[2-[[2-(2-hydroxyethyl)pentylamino]methyl]-3-methylbutyl]carbamate?
tert-butyl N-[2-[[2-(2-hydroxyethyl)pentylamino]methyl]-3-methylbutyl]carbamate has a molecular weight of 330.51 g/mol, XLogP of 3.17, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[2-(2-hydroxyethyl)pentylamino]methyl]-3-methylbutyl]carbamate is sourced from PubChem (CID 106114206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).