tert-butyl N-(10-amino-5,5,8,8-tetramethyldecyl)carbamate

C19H40N2O2 — CID 169146336

IUPACtert-butyl N-(10-amino-5,5,8,8-tetramethyldecyl)carbamate
SMILESCC(C)(CCN)CCC(C)(C)CCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C19H40N2O2/c1-17(2,3)23-16(22)21-15-9-8-10-18(4,5)11-12-19(6,7)13-14-20/h8-15,20H2,1-7H3,(H,21,22)
InChIKeyTUEMLMLEYMXWGZ-UHFFFAOYSA-N
MW328.54 g/mol
LogP4.86
Rot. Bonds10

About tert-butyl N-(10-amino-5,5,8,8-tetramethyldecyl)carbamate

tert-butyl N-(10-amino-5,5,8,8-tetramethyldecyl)carbamate (PubChem CID 169146336) has the molecular formula C19H40N2O2 and a molecular weight of 328.54 g/mol. Its IUPAC name is tert-butyl N-(10-amino-5,5,8,8-tetramethyldecyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(10-amino-5,5,8,8-tetramethyldecyl)carbamate
PubChem CID169146336
Molecular FormulaC19H40N2O2
Molecular Weight328.54 g/mol
Exact Mass328.31
IUPAC Nametert-butyl N-(10-amino-5,5,8,8-tetramethyldecyl)carbamate
SMILESCC(C)(CCN)CCC(C)(C)CCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C19H40N2O2/c1-17(2,3)23-16(22)21-15-9-8-10-18(4,5)11-12-19(6,7)13-14-20/h8-15,20H2,1-7H3,(H,21,22)
InChIKeyTUEMLMLEYMXWGZ-UHFFFAOYSA-N
XLogP4.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.54
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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tert-butyl N-[9-amino-4-(5-aminopentyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]nonyl]carbamate
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tert-butyl N-[6-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]hexyl]carbamate
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tert-butyl N-[6-[8-(6-aminohexanoylamino)octylamino]-6-oxohexyl]carbamate
CID 10576339
2-bromoacetic acid;tert-butyl N-(6-aminohexyl)carbamate
CID 87525773
tert-butyl N-[5-(6-aminohexanoylamino)pentyl]carbamate
CID 18941878
tert-butyl N-[3-[(2-aminoacetyl)amino]propyl]carbamate
CID 23591745
tert-butyl N-[5-(methylamino)pentyl]carbamate
CID 87263201
tert-butyl N-pentylcarbamate;bis(pentane)
CID 171066640
tert-butyl N-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]propyl]carbamate
CID 10404463

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(10-amino-5,5,8,8-tetramethyldecyl)carbamate?
The IUPAC name of tert-butyl N-(10-amino-5,5,8,8-tetramethyldecyl)carbamate (CID 169146336) is tert-butyl N-(10-amino-5,5,8,8-tetramethyldecyl)carbamate.
What is the SMILES notation for tert-butyl N-(10-amino-5,5,8,8-tetramethyldecyl)carbamate?
The canonical SMILES for tert-butyl N-(10-amino-5,5,8,8-tetramethyldecyl)carbamate is CC(C)(CCN)CCC(C)(C)CCCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(10-amino-5,5,8,8-tetramethyldecyl)carbamate?
The InChIKey is TUEMLMLEYMXWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2O2/c1-17(2,3)23-16(22)21-15-9-8-10-18(4,5)11-12-19(6,7)13-14-20/h8-15,20H2,1-7H3,(H,21,22).
What are the key properties of tert-butyl N-(10-amino-5,5,8,8-tetramethyldecyl)carbamate?
tert-butyl N-(10-amino-5,5,8,8-tetramethyldecyl)carbamate has a molecular weight of 328.54 g/mol, XLogP of 4.86, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(10-amino-5,5,8,8-tetramethyldecyl)carbamate is sourced from PubChem (CID 169146336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).