methyl-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]azanide

C12H25N2O2- — CID 54708081

IUPACmethyl-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]azanide
SMILESC[N-]CCCCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C12H25N2O2/c1-12(2,3)16-11(15)14-10-8-6-5-7-9-13-4/h5-10H2,1-4H3,(H,14,15)/q-1
InChIKeyNPVQCYDGWCCXEW-UHFFFAOYSA-N
MW229.34 g/mol
LogP3.08
Rot. Bonds7

About methyl-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]azanide

methyl-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]azanide (PubChem CID 54708081) has the molecular formula C12H25N2O2- and a molecular weight of 229.34 g/mol. Its IUPAC name is methyl-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]azanide.

Molecular Properties

Compound Namemethyl-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]azanide
PubChem CID54708081
Molecular FormulaC12H25N2O2-
Molecular Weight229.34 g/mol
Exact Mass229.19
IUPAC Namemethyl-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]azanide
SMILESC[N-]CCCCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C12H25N2O2/c1-12(2,3)16-11(15)14-10-8-6-5-7-9-13-4/h5-10H2,1-4H3,(H,14,15)/q-1
InChIKeyNPVQCYDGWCCXEW-UHFFFAOYSA-N
XLogP3.08
TPSA52.43 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 53.08
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-[6-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]hexyl]carbamate
CID 15570048
tert-butyl N-[5-(methylamino)pentyl]carbamate
CID 87263201
5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylazanium
CID 7019265
tert-butyl N-nonylcarbamate;ethane
CID 168941348
tert-butyl N-(12-bromododecyl)carbamate
CID 4206147
tert-butyl N-pentylcarbamate;bis(pentane)
CID 171066640
tert-butyl N-(6-methylheptyl)carbamate
CID 143166499
tert-butyl N-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]propyl]carbamate
CID 10404463
tert-butyl N-[4-[4-[bis[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]butyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]butyl]carbamate
CID 170606638
2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]acetic acid
CID 10423479
tert-butyl N-[5-(butanoylamino)pentyl]carbamate
CID 90324113
tert-butyl N-[5-[4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]piperazin-1-yl]pentyl]carbamate
CID 68676140

Frequently Asked Questions

What is the IUPAC name of methyl-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]azanide?
The IUPAC name of methyl-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]azanide (CID 54708081) is methyl-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]azanide.
What is the SMILES notation for methyl-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]azanide?
The canonical SMILES for methyl-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]azanide is C[N-]CCCCCCNC(=O)OC(C)(C)C.
What is the InChIKey of methyl-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]azanide?
The InChIKey is NPVQCYDGWCCXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N2O2/c1-12(2,3)16-11(15)14-10-8-6-5-7-9-13-4/h5-10H2,1-4H3,(H,14,15)/q-1.
What are the key properties of methyl-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]azanide?
methyl-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]azanide has a molecular weight of 229.34 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]azanide is sourced from PubChem (CID 54708081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).