2-[methyl-(methyldiazenyl)amino]ethyl N-[5-(methylamino)-6-oxoheptyl]carbamate

C13H27N5O3 — CID 166919300

IUPAC2-[methyl-(methyldiazenyl)amino]ethyl N-[5-(methylamino)-6-oxoheptyl]carbamate
SMILESC/N=N/N(C)CCOC(=O)NCCCCC(NC)C(C)=O
InChIInChI=1S/C13H27N5O3/c1-11(19)12(14-2)7-5-6-8-16-13(20)21-10-9-18(4)17-15-3/h12,14H,5-10H2,1-4H3,(H,16,20)/b17-15+
InChIKeyGNBDJDSDKJFUJF-BMRADRMJSA-N
MW301.39 g/mol
LogP0.99
Rot. Bonds11

About 2-[methyl-(methyldiazenyl)amino]ethyl N-[5-(methylamino)-6-oxoheptyl]carbamate

2-[methyl-(methyldiazenyl)amino]ethyl N-[5-(methylamino)-6-oxoheptyl]carbamate (PubChem CID 166919300) has the molecular formula C13H27N5O3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[methyl-(methyldiazenyl)amino]ethyl N-[5-(methylamino)-6-oxoheptyl]carbamate.

Molecular Properties

Compound Name2-[methyl-(methyldiazenyl)amino]ethyl N-[5-(methylamino)-6-oxoheptyl]carbamate
PubChem CID166919300
Molecular FormulaC13H27N5O3
Molecular Weight301.39 g/mol
Exact Mass301.21
IUPAC Name2-[methyl-(methyldiazenyl)amino]ethyl N-[5-(methylamino)-6-oxoheptyl]carbamate
SMILESC/N=N/N(C)CCOC(=O)NCCCCC(NC)C(C)=O
InChIInChI=1S/C13H27N5O3/c1-11(19)12(14-2)7-5-6-8-16-13(20)21-10-9-18(4)17-15-3/h12,14H,5-10H2,1-4H3,(H,16,20)/b17-15+
InChIKeyGNBDJDSDKJFUJF-BMRADRMJSA-N
XLogP0.99
TPSA95.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[5-(methylamino)-6-oxoheptyl]acetamide
CID 72531046
(3R)-3,7-bis(methylamino)heptan-2-one
CID 91227284
N-[(5R)-5-(methylamino)-6-oxoheptyl]propanamide
CID 170089451
2-methoxy-N-[5-(methylamino)-6-oxoheptyl]acetamide
CID 159874628
2-azidoethyl N-[(5S)-5-acetamido-6-oxoheptyl]carbamate
CID 167653306
2,2-dimethyl-N-[5-(methylamino)-6-oxoheptyl]propanamide;methane
CID 159495091
3-methyl-N-[(5S)-5-(methylamino)-6-oxoheptyl]butanamide
CID 170086271
5-acetamido-2-amino-N-[5-(methylamino)-6-oxoheptyl]pentanamide
CID 126757813
2-hydroxyethyl N-(5-methylhexyl)carbamate
CID 115327389
methyl 6-acetamido-2-(methylamino)hexanoate
CID 78438016
N-[5-(methylamino)-6-oxoheptyl]-3-(2-propoxyethoxy)propanamide
CID 153475321
methyl (2S)-2-(methylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 122173697

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(methyldiazenyl)amino]ethyl N-[5-(methylamino)-6-oxoheptyl]carbamate?
The IUPAC name of 2-[methyl-(methyldiazenyl)amino]ethyl N-[5-(methylamino)-6-oxoheptyl]carbamate (CID 166919300) is 2-[methyl-(methyldiazenyl)amino]ethyl N-[5-(methylamino)-6-oxoheptyl]carbamate.
What is the SMILES notation for 2-[methyl-(methyldiazenyl)amino]ethyl N-[5-(methylamino)-6-oxoheptyl]carbamate?
The canonical SMILES for 2-[methyl-(methyldiazenyl)amino]ethyl N-[5-(methylamino)-6-oxoheptyl]carbamate is C/N=N/N(C)CCOC(=O)NCCCCC(NC)C(C)=O.
What is the InChIKey of 2-[methyl-(methyldiazenyl)amino]ethyl N-[5-(methylamino)-6-oxoheptyl]carbamate?
The InChIKey is GNBDJDSDKJFUJF-BMRADRMJSA-N. The full InChI is InChI=1S/C13H27N5O3/c1-11(19)12(14-2)7-5-6-8-16-13(20)21-10-9-18(4)17-15-3/h12,14H,5-10H2,1-4H3,(H,16,20)/b17-15+.
What are the key properties of 2-[methyl-(methyldiazenyl)amino]ethyl N-[5-(methylamino)-6-oxoheptyl]carbamate?
2-[methyl-(methyldiazenyl)amino]ethyl N-[5-(methylamino)-6-oxoheptyl]carbamate has a molecular weight of 301.39 g/mol, XLogP of 0.99, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(methyldiazenyl)amino]ethyl N-[5-(methylamino)-6-oxoheptyl]carbamate is sourced from PubChem (CID 166919300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).