tert-butyl N-(6-methylheptyl)carbamate

C13H27NO2 — CID 143166499

IUPACtert-butyl N-(6-methylheptyl)carbamate
SMILESCC(C)CCCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C13H27NO2/c1-11(2)9-7-6-8-10-14-12(15)16-13(3,4)5/h11H,6-10H2,1-5H3,(H,14,15)
InChIKeyAFYMOCYPYZAFAL-UHFFFAOYSA-N
MW229.36 g/mol
LogP3.73
Rot. Bonds6

About tert-butyl N-(6-methylheptyl)carbamate

tert-butyl N-(6-methylheptyl)carbamate (PubChem CID 143166499) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is tert-butyl N-(6-methylheptyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-methylheptyl)carbamate
PubChem CID143166499
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Nametert-butyl N-(6-methylheptyl)carbamate
SMILESCC(C)CCCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C13H27NO2/c1-11(2)9-7-6-8-10-14-12(15)16-13(3,4)5/h11H,6-10H2,1-5H3,(H,14,15)
InChIKeyAFYMOCYPYZAFAL-UHFFFAOYSA-N
XLogP3.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(5-hydroxyhexyl)carbamate
CID 130586251
tert-butyl N-[(5R)-5-aminohexyl]carbamate
CID 59986272
tert-butyl N-[5-(methylamino)pentyl]carbamate
CID 87263201
tert-butyl N-(6-hydroxy-5-methylhexyl)carbamate
CID 10868138
6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-ylcarbamic acid
CID 141446573
tert-butyl N-[(5R)-5-aminoheptyl]carbamate
CID 163765296
tert-butyl N-[(5S)-5,6-diaminohexyl]carbamate
CID 10704705
tert-butyl N-[6-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]hexyl]carbamate
CID 15570048
tert-butyl N-[6-hydroxy-5-(hydroxymethyl)hexyl]carbamate
CID 142613690
tert-butyl N-[3-(5-methylhexan-2-ylamino)propyl]carbamate
CID 81344613
tert-butyl N-(7,8-diamino-8-oxooctyl)carbamate
CID 87097822
tert-butyl N-[4-(3-methylbutylamino)-4-oxobutyl]carbamate
CID 24689253

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-methylheptyl)carbamate?
The IUPAC name of tert-butyl N-(6-methylheptyl)carbamate (CID 143166499) is tert-butyl N-(6-methylheptyl)carbamate.
What is the SMILES notation for tert-butyl N-(6-methylheptyl)carbamate?
The canonical SMILES for tert-butyl N-(6-methylheptyl)carbamate is CC(C)CCCCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(6-methylheptyl)carbamate?
The InChIKey is AFYMOCYPYZAFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-11(2)9-7-6-8-10-14-12(15)16-13(3,4)5/h11H,6-10H2,1-5H3,(H,14,15).
What are the key properties of tert-butyl N-(6-methylheptyl)carbamate?
tert-butyl N-(6-methylheptyl)carbamate has a molecular weight of 229.36 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-methylheptyl)carbamate is sourced from PubChem (CID 143166499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).