tert-butyl N-(5-amino-4,4-dimethylpentyl)carbamate

C12H26N2O2 — CID 72943143

IUPACtert-butyl N-(5-amino-4,4-dimethylpentyl)carbamate
SMILESCC(C)(CN)CCCNC(=O)OC(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-11(2,3)16-10(15)14-8-6-7-12(4,5)9-13/h6-9,13H2,1-5H3,(H,14,15)
InChIKeyPTIGOOMKURSINI-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.28
Rot. Bonds5

About tert-butyl N-(5-amino-4,4-dimethylpentyl)carbamate

tert-butyl N-(5-amino-4,4-dimethylpentyl)carbamate (PubChem CID 72943143) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is tert-butyl N-(5-amino-4,4-dimethylpentyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-amino-4,4-dimethylpentyl)carbamate
PubChem CID72943143
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Nametert-butyl N-(5-amino-4,4-dimethylpentyl)carbamate
SMILESCC(C)(CN)CCCNC(=O)OC(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-11(2,3)16-10(15)14-8-6-7-12(4,5)9-13/h6-9,13H2,1-5H3,(H,14,15)
InChIKeyPTIGOOMKURSINI-UHFFFAOYSA-N
XLogP2.28
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.28
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

tert-butyl N-(10-amino-5,5,8,8-tetramethyldecyl)carbamate
CID 169146336
tert-butyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 4114359
tert-butyl N-[3-[(2-aminoacetyl)amino]propyl]carbamate
CID 23591745
tert-butyl N-pentylcarbamate;bis(pentane)
CID 171066640
tert-butyl N-[3-(2-aminoethoxy)propyl]carbamate
CID 87187149
tert-butyl N-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]propyl]carbamate
CID 10404463
tert-butyl N-[9-amino-4-(5-aminopentyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]nonyl]carbamate
CID 57208248
tert-butyl N-(2,3-diamino-2-methylpropyl)carbamate
CID 170622454
tert-butyl N-[4-(3-aminopropanoylamino)butyl]carbamate
CID 175666351
tert-butyl N-butylcarbamate;methane
CID 153346289
tert-butyl N-[6-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]hexyl]carbamate
CID 15570048
tert-butyl N-[3-(iodomethoxycarbonylamino)propyl]carbamate
CID 18629483

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-amino-4,4-dimethylpentyl)carbamate?
The IUPAC name of tert-butyl N-(5-amino-4,4-dimethylpentyl)carbamate (CID 72943143) is tert-butyl N-(5-amino-4,4-dimethylpentyl)carbamate.
What is the SMILES notation for tert-butyl N-(5-amino-4,4-dimethylpentyl)carbamate?
The canonical SMILES for tert-butyl N-(5-amino-4,4-dimethylpentyl)carbamate is CC(C)(CN)CCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(5-amino-4,4-dimethylpentyl)carbamate?
The InChIKey is PTIGOOMKURSINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-11(2,3)16-10(15)14-8-6-7-12(4,5)9-13/h6-9,13H2,1-5H3,(H,14,15).
What are the key properties of tert-butyl N-(5-amino-4,4-dimethylpentyl)carbamate?
tert-butyl N-(5-amino-4,4-dimethylpentyl)carbamate has a molecular weight of 230.35 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-amino-4,4-dimethylpentyl)carbamate is sourced from PubChem (CID 72943143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).