tert-butyl N-(1-amino-3-methylhexan-3-yl)carbamate

C12H26N2O2 — CID 151269852

IUPACtert-butyl N-(1-amino-3-methylhexan-3-yl)carbamate
SMILESCCCC(C)(CCN)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-6-7-12(5,8-9-13)14-10(15)16-11(2,3)4/h6-9,13H2,1-5H3,(H,14,15)
InChIKeyNWCWXVCRVPHWFA-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.42
Rot. Bonds5

About tert-butyl N-(1-amino-3-methylhexan-3-yl)carbamate

tert-butyl N-(1-amino-3-methylhexan-3-yl)carbamate (PubChem CID 151269852) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is tert-butyl N-(1-amino-3-methylhexan-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-amino-3-methylhexan-3-yl)carbamate
PubChem CID151269852
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Nametert-butyl N-(1-amino-3-methylhexan-3-yl)carbamate
SMILESCCCC(C)(CCN)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-6-7-12(5,8-9-13)14-10(15)16-11(2,3)4/h6-9,13H2,1-5H3,(H,14,15)
InChIKeyNWCWXVCRVPHWFA-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2R)-1-amino-2-methylpentan-2-yl]carbamate
CID 129411644
tert-butyl N-(4-methylnonan-4-yl)carbamate
CID 130223651
6-amino-2-imino-4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 174515371
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propylpentanoic acid
CID 2762257
(2S)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 39870673
methyl 2-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 88646273
5-amino-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 10752948
tert-butyl N-[2-(aminomethyl)-2-methylpentyl]carbamate
CID 84726317
tert-butyl N-(1-amino-2-methylpropan-2-yl)carbamate;hydrochloride
CID 45072479
ethyl 3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 134372681
tert-butyl N-(1-amino-3-cyclopropyl-2-methylpropan-2-yl)carbamate
CID 84726052
tert-butyl N-[(3S)-1-(dimethylamino)-2,2-difluoro-3-hydroxy-1-oxohexan-3-yl]carbamate
CID 91258966

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-amino-3-methylhexan-3-yl)carbamate?
The IUPAC name of tert-butyl N-(1-amino-3-methylhexan-3-yl)carbamate (CID 151269852) is tert-butyl N-(1-amino-3-methylhexan-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-amino-3-methylhexan-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-amino-3-methylhexan-3-yl)carbamate is CCCC(C)(CCN)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(1-amino-3-methylhexan-3-yl)carbamate?
The InChIKey is NWCWXVCRVPHWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-6-7-12(5,8-9-13)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-(1-amino-3-methylhexan-3-yl)carbamate?
tert-butyl N-(1-amino-3-methylhexan-3-yl)carbamate has a molecular weight of 230.35 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-amino-3-methylhexan-3-yl)carbamate is sourced from PubChem (CID 151269852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).