[1-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylidene]azanium

C7H16N3O2+ — CID 51723330

IUPAC[1-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylidene]azanium
SMILESCC(C)(C)OC(=O)NCC(N)=[NH2+]
InChIInChI=1S/C7H15N3O2/c1-7(2,3)12-6(11)10-4-5(8)9/h4H2,1-3H3,(H3,8,9)(H,10,11)/p+1
InChIKeySWBZVFFQFKRUQQ-UHFFFAOYSA-O
MW174.22 g/mol
LogP-1.37
Rot. Bonds2

About [1-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylidene]azanium

[1-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylidene]azanium (PubChem CID 51723330) has the molecular formula C7H16N3O2+ and a molecular weight of 174.22 g/mol. Its IUPAC name is [1-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylidene]azanium.

Molecular Properties

Compound Name[1-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylidene]azanium
PubChem CID51723330
Molecular FormulaC7H16N3O2+
Molecular Weight174.22 g/mol
Exact Mass174.12
IUPAC Name[1-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylidene]azanium
SMILESCC(C)(C)OC(=O)NCC(N)=[NH2+]
InChIInChI=1S/C7H15N3O2/c1-7(2,3)12-6(11)10-4-5(8)9/h4H2,1-3H3,(H3,8,9)(H,10,11)/p+1
InChIKeySWBZVFFQFKRUQQ-UHFFFAOYSA-O
XLogP-1.37
TPSA89.94 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

N-BOC-ethylenediamine
CID 187201
tert-butyl N-((N'-hydroxycarbamimidoyl)methyl)carbamate
CID 21061511
tert-butyl N-(carbamimidoylmethyl)carbamate hydrochloride
CID 45791936
tert-butyl N-[(5-oxo-2,5-dihydro-1,2,4-oxadiazol-3-yl)methyl]carbamate
CID 139026733
1,1-Dimethylethyl N-(2-amino-2-iminoethyl)carbamate
CID 10942938
tert-butyl N-(carbamimidoylmethyl)-N-methylcarbamate hydrochloride
CID 126812317
t-Butyl (1-amino-1-iminobutan-2-yl)-carbamate
CID 61428163
Tert-butyl (3-amino-3-iminopropyl)carbamate
CID 12715858
tert-Butyl N-(1-carbamimidoylethyl)carbamate
CID 61428355
Tert-butyl (2-amino-2-iminoethyl)(methyl)carbamate
CID 61430517
tert-Butyl N-(3-carbamimidoylpropyl)carbamate
CID 61430621
Acetamide, N-(2-amino-2-iminoethyl)-alpha-(t-butoxycarbonylamino)-
CID 567732

Frequently Asked Questions

What is the IUPAC name of [1-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylidene]azanium?
The IUPAC name of [1-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylidene]azanium (CID 51723330) is [1-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylidene]azanium.
What is the SMILES notation for [1-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylidene]azanium?
The canonical SMILES for [1-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylidene]azanium is CC(C)(C)OC(=O)NCC(N)=[NH2+].
What is the InChIKey of [1-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylidene]azanium?
The InChIKey is SWBZVFFQFKRUQQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H15N3O2/c1-7(2,3)12-6(11)10-4-5(8)9/h4H2,1-3H3,(H3,8,9)(H,10,11)/p+1.
What are the key properties of [1-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylidene]azanium?
[1-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylidene]azanium has a molecular weight of 174.22 g/mol, XLogP of -1.37, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylidene]azanium is sourced from PubChem (CID 51723330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).