tert-butyl N-[2-(aminomethyl)-2-methylpentyl]carbamate

C12H26N2O2 — CID 84726317

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

About tert-butyl N-[2-(aminomethyl)-2-methylpentyl]carbamate

tert-butyl N-[2-(aminomethyl)-2-methylpentyl]carbamate (PubChem CID 84726317) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is tert-butyl N-[2-(aminomethyl)-2-methylpentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(aminomethyl)-2-methylpentyl]carbamate
PubChem CID84726317
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Nametert-butyl N-[2-(aminomethyl)-2-methylpentyl]carbamate
SMILESCCCC(C)(CN)CNC(=O)OC(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-6-7-12(5,8-13)9-14-10(15)16-11(2,3)4/h6-9,13H2,1-5H3,(H,14,15)
InChIKeyKGULBDVVZASKMS-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

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Related Compounds

tert-butyl N-(2-ethyl-2-methylbutyl)carbamate
CID 90843997
tert-butyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 4114359
tert-butyl N-(2,3-diamino-2-methylpropyl)carbamate
CID 170622454
tert-butyl N-[(2R)-1-amino-2-methylpentan-2-yl]carbamate
CID 129411644
tert-butyl N-ethylcarbamate;hydroxylamine
CID 21286916
tert-butyl N-(2-aminoethyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;propan-1-amine
CID 160721898
tert-butyl N-[4-butoxy-2-(hydroxymethyl)-2-methylbutyl]carbamate
CID 106508706
5,5-dimethyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-propylhexanoic acid
CID 106488336
tert-butyl N-(5-amino-4,4-dimethylpentyl)carbamate
CID 72943143
tert-butyl N-(1-amino-3-methylhexan-3-yl)carbamate
CID 151269852
N-[2-(aminomethyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 139270387
tert-butyl N-(2-methyl-2-sulfanylpropyl)carbamate
CID 45092056

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(aminomethyl)-2-methylpentyl]carbamate?
The IUPAC name of tert-butyl N-[2-(aminomethyl)-2-methylpentyl]carbamate (CID 84726317) is tert-butyl N-[2-(aminomethyl)-2-methylpentyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(aminomethyl)-2-methylpentyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(aminomethyl)-2-methylpentyl]carbamate is CCCC(C)(CN)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(aminomethyl)-2-methylpentyl]carbamate?
The InChIKey is KGULBDVVZASKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-6-7-12(5,8-13)9-14-10(15)16-11(2,3)4/h6-9,13H2,1-5H3,(H,14,15).
What are the key properties of tert-butyl N-[2-(aminomethyl)-2-methylpentyl]carbamate?
tert-butyl N-[2-(aminomethyl)-2-methylpentyl]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-[2-(aminomethyl)-2-methylpentyl]carbamate is sourced from PubChem (CID 84726317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).