[(E)-1-aminopropan-2-ylideneamino] N-cyclohexylcarbamate

C10H19N3O2 — CID 58684869

IUPAC[(E)-1-aminopropan-2-ylideneamino] N-cyclohexylcarbamate
SMILESC/C(CN)=N\OC(=O)NC1CCCCC1
InChIInChI=1S/C10H19N3O2/c1-8(7-11)13-15-10(14)12-9-5-3-2-4-6-9/h9H,2-7,11H2,1H3,(H,12,14)/b13-8+
InChIKeyXKHAFYJODZLKLC-MDWZMJQESA-N
MW213.28 g/mol
LogP1.38
Rot. Bonds3

About [(E)-1-aminopropan-2-ylideneamino] N-cyclohexylcarbamate

[(E)-1-aminopropan-2-ylideneamino] N-cyclohexylcarbamate (PubChem CID 58684869) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is [(E)-1-aminopropan-2-ylideneamino] N-cyclohexylcarbamate.

Molecular Properties

Compound Name[(E)-1-aminopropan-2-ylideneamino] N-cyclohexylcarbamate
PubChem CID58684869
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name[(E)-1-aminopropan-2-ylideneamino] N-cyclohexylcarbamate
SMILESC/C(CN)=N\OC(=O)NC1CCCCC1
InChIInChI=1S/C10H19N3O2/c1-8(7-11)13-15-10(14)12-9-5-3-2-4-6-9/h9H,2-7,11H2,1H3,(H,12,14)/b13-8+
InChIKeyXKHAFYJODZLKLC-MDWZMJQESA-N
XLogP1.38
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

methyl N-cyclohexadecylcarbamate
CID 131977131
2-aminoethyl N-cyclohexylcarbamate;molecular hydrogen
CID 159671742
cyclohexylurea;methanamine
CID 142108304
2-bromoethyl N-cyclohexylcarbamate
CID 112683003
prop-2-enyl N-cyclohexylcarbamate
CID 11126927
3-methylbutyl N-cyclohexylcarbamate
CID 86243713
propan-2-yl N-cyclooctylcarbamate
CID 116653938
octyl N-cyclohexylcarbamate
CID 141434119
octadecyl N-cyclohexylcarbamate
CID 70449091
cyclopentylcarbamoperoxoic acid
CID 143557914
[[4-[cyclohexylcarbamoyl(methyl)amino]-4-methylpentan-2-ylidene]amino] N-phenylcarbamate
CID 3094103
3-amino-4-(cyclohexylcarbamoyloxy)-2-ethylbut-2-enoic acid
CID 70449567

Frequently Asked Questions

What is the IUPAC name of [(E)-1-aminopropan-2-ylideneamino] N-cyclohexylcarbamate?
The IUPAC name of [(E)-1-aminopropan-2-ylideneamino] N-cyclohexylcarbamate (CID 58684869) is [(E)-1-aminopropan-2-ylideneamino] N-cyclohexylcarbamate.
What is the SMILES notation for [(E)-1-aminopropan-2-ylideneamino] N-cyclohexylcarbamate?
The canonical SMILES for [(E)-1-aminopropan-2-ylideneamino] N-cyclohexylcarbamate is C/C(CN)=N\OC(=O)NC1CCCCC1.
What is the InChIKey of [(E)-1-aminopropan-2-ylideneamino] N-cyclohexylcarbamate?
The InChIKey is XKHAFYJODZLKLC-MDWZMJQESA-N. The full InChI is InChI=1S/C10H19N3O2/c1-8(7-11)13-15-10(14)12-9-5-3-2-4-6-9/h9H,2-7,11H2,1H3,(H,12,14)/b13-8+.
What are the key properties of [(E)-1-aminopropan-2-ylideneamino] N-cyclohexylcarbamate?
[(E)-1-aminopropan-2-ylideneamino] N-cyclohexylcarbamate has a molecular weight of 213.28 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-aminopropan-2-ylideneamino] N-cyclohexylcarbamate is sourced from PubChem (CID 58684869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).