methyl N-(hexylideneamino)carbamate

C8H16N2O2 — CID 139895363

IUPACmethyl N-(hexylideneamino)carbamate
SMILESCCCCCC=NNC(=O)OC
InChIInChI=1S/C8H16N2O2/c1-3-4-5-6-7-9-10-8(11)12-2/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyOTVQNGGEFCOHKK-UHFFFAOYSA-N
MW172.23 g/mol
LogP1.91
Rot. Bonds5

About methyl N-(hexylideneamino)carbamate

methyl N-(hexylideneamino)carbamate (PubChem CID 139895363) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is methyl N-(hexylideneamino)carbamate.

Molecular Properties

Compound Namemethyl N-(hexylideneamino)carbamate
PubChem CID139895363
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Namemethyl N-(hexylideneamino)carbamate
SMILESCCCCCC=NNC(=O)OC
InChIInChI=1S/C8H16N2O2/c1-3-4-5-6-7-9-10-8(11)12-2/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyOTVQNGGEFCOHKK-UHFFFAOYSA-N
XLogP1.91
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(nonylideneamino)decanamide
CID 5084396
N-(nonylideneamino)octanamide
CID 4295690
N-(dodecylideneamino)hydroxylamine
CID 91556209
N-(butylideneamino)heptanamide
CID 4641242
N-[(E)-hexylideneamino]-4-hydroxybenzamide
CID 24749613
N-[(Z)-butylideneamino]acetamide
CID 6015140
N,N'-bis(butylideneamino)heptanediamide
CID 4260370
N,N'-bis(butylideneamino)octanediamide
CID 5050764
(hexylideneamino) carbamate
CID 175176534
2-methyl-1-[(E)-pentylideneamino]guanidine
CID 126544495
methyl N-[(E)-[(2E)-2-benzylideneheptylidene]amino]carbamate
CID 18206230
N-[(Z)-hexadecylideneamino]hexadecan-1-amine
CID 91745707

Frequently Asked Questions

What is the IUPAC name of methyl N-(hexylideneamino)carbamate?
The IUPAC name of methyl N-(hexylideneamino)carbamate (CID 139895363) is methyl N-(hexylideneamino)carbamate.
What is the SMILES notation for methyl N-(hexylideneamino)carbamate?
The canonical SMILES for methyl N-(hexylideneamino)carbamate is CCCCCC=NNC(=O)OC.
What is the InChIKey of methyl N-(hexylideneamino)carbamate?
The InChIKey is OTVQNGGEFCOHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-3-4-5-6-7-9-10-8(11)12-2/h7H,3-6H2,1-2H3,(H,10,11).
What are the key properties of methyl N-(hexylideneamino)carbamate?
methyl N-(hexylideneamino)carbamate has a molecular weight of 172.23 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(hexylideneamino)carbamate is sourced from PubChem (CID 139895363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).