tert-butyl N-(N'-butan-2-ylcarbamimidoyl)carbamate

C10H21N3O2 — CID 166915171

IUPACtert-butyl N-(N'-butan-2-ylcarbamimidoyl)carbamate
SMILESCCC(C)/N=C(\N)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H21N3O2/c1-6-7(2)12-8(11)13-9(14)15-10(3,4)5/h7H,6H2,1-5H3,(H3,11,12,13,14)
InChIKeyMNIRMQANVIPWKY-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.62
Rot. Bonds2

About tert-butyl N-(N'-butan-2-ylcarbamimidoyl)carbamate

tert-butyl N-(N'-butan-2-ylcarbamimidoyl)carbamate (PubChem CID 166915171) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is tert-butyl N-(N'-butan-2-ylcarbamimidoyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(N'-butan-2-ylcarbamimidoyl)carbamate
PubChem CID166915171
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Nametert-butyl N-(N'-butan-2-ylcarbamimidoyl)carbamate
SMILESCCC(C)/N=C(\N)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H21N3O2/c1-6-7(2)12-8(11)13-9(14)15-10(3,4)5/h7H,6H2,1-5H3,(H3,11,12,13,14)
InChIKeyMNIRMQANVIPWKY-UHFFFAOYSA-N
XLogP1.62
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-[[amino-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]amino]acetate
CID 173064002
2-butan-2-yl-1-prop-1-en-2-ylguanidine
CID 145461023
4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-2-hydroxypentanoic acid
CID 88888848
(2S)-2-amino-5-[[amino-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]amino]pentanoic acid
CID 166132102
tert-butyl N-ethoxycarbothioylcarbamate
CID 130015339
tert-butyl N-[(1R)-1-aminopropyl]carbamate
CID 45092381
ethyl (E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate
CID 101049189
ethyl (Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate
CID 10633164
tert-butyl N-[1-amino-4-[(E)-[amino-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]amino]oxy-1-oxobutan-2-yl]carbamate
CID 167996675
tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 87856844
tert-butyl N-(2-bromoacetyl)carbamate
CID 46224013
tert-butyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate
CID 11367915

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(N'-butan-2-ylcarbamimidoyl)carbamate?
The IUPAC name of tert-butyl N-(N'-butan-2-ylcarbamimidoyl)carbamate (CID 166915171) is tert-butyl N-(N'-butan-2-ylcarbamimidoyl)carbamate.
What is the SMILES notation for tert-butyl N-(N'-butan-2-ylcarbamimidoyl)carbamate?
The canonical SMILES for tert-butyl N-(N'-butan-2-ylcarbamimidoyl)carbamate is CCC(C)/N=C(\N)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(N'-butan-2-ylcarbamimidoyl)carbamate?
The InChIKey is MNIRMQANVIPWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-6-7(2)12-8(11)13-9(14)15-10(3,4)5/h7H,6H2,1-5H3,(H3,11,12,13,14).
What are the key properties of tert-butyl N-(N'-butan-2-ylcarbamimidoyl)carbamate?
tert-butyl N-(N'-butan-2-ylcarbamimidoyl)carbamate has a molecular weight of 215.30 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(N'-butan-2-ylcarbamimidoyl)carbamate is sourced from PubChem (CID 166915171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).