(hexylideneamino) carbamate

C7H14N2O2 — CID 175176534

IUPAC(hexylideneamino) carbamate
SMILESCCCCCC=NOC(N)=O
InChIInChI=1S/C7H14N2O2/c1-2-3-4-5-6-9-11-7(8)10/h6H,2-5H2,1H3,(H2,8,10)
InChIKeyGCAGMVBIZVSLON-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.65
Rot. Bonds5

About (hexylideneamino) carbamate

(hexylideneamino) carbamate (PubChem CID 175176534) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is (hexylideneamino) carbamate.

Molecular Properties

Compound Name(hexylideneamino) carbamate
PubChem CID175176534
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name(hexylideneamino) carbamate
SMILESCCCCCC=NOC(N)=O
InChIInChI=1S/C7H14N2O2/c1-2-3-4-5-6-9-11-7(8)10/h6H,2-5H2,1H3,(H2,8,10)
InChIKeyGCAGMVBIZVSLON-UHFFFAOYSA-N
XLogP1.65
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.65
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': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(nonylideneamino) acetate
CID 90921224
hexylidenecarbamothioic S-acid
CID 91574516
[(E)-oct-2-enyl] carbamate
CID 87240762
nonadec-3-enamide
CID 54215031
acetamide;hexanal
CID 157359480
methyl N-(hexylideneamino)carbamate
CID 139895363
(NE)-N-octylidenehydroxylamine
CID 5385260
N-tridecylidenedodecanamide
CID 87784437
(E)-N-pentoxypentan-1-imine
CID 18714719
pentylidenecarbamothioic S-acid
CID 91149541
tert-butyl (NE)-N-heptylidenecarbamate
CID 135071465
(1E)-1-methoxyiminononadecan-10-ol
CID 167096397

Frequently Asked Questions

What is the IUPAC name of (hexylideneamino) carbamate?
The IUPAC name of (hexylideneamino) carbamate (CID 175176534) is (hexylideneamino) carbamate.
What is the SMILES notation for (hexylideneamino) carbamate?
The canonical SMILES for (hexylideneamino) carbamate is CCCCCC=NOC(N)=O.
What is the InChIKey of (hexylideneamino) carbamate?
The InChIKey is GCAGMVBIZVSLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-2-3-4-5-6-9-11-7(8)10/h6H,2-5H2,1H3,(H2,8,10).
What are the key properties of (hexylideneamino) carbamate?
(hexylideneamino) carbamate has a molecular weight of 158.20 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (hexylideneamino) carbamate is sourced from PubChem (CID 175176534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).