(methyliminomethylamino) N-(2-aminoethyl)carbamate

C5H12N4O2 — CID 142470605

IUPAC(methyliminomethylamino) N-(2-aminoethyl)carbamate
SMILESC/N=C/NOC(=O)NCCN
InChIInChI=1S/C5H12N4O2/c1-7-4-9-11-5(10)8-3-2-6/h4H,2-3,6H2,1H3,(H,7,9)(H,8,10)
InChIKeyBMUMNCZXMGEPIL-UHFFFAOYSA-N
MW160.18 g/mol
LogP-1.17
Rot. Bonds4

About (methyliminomethylamino) N-(2-aminoethyl)carbamate

(methyliminomethylamino) N-(2-aminoethyl)carbamate (PubChem CID 142470605) has the molecular formula C5H12N4O2 and a molecular weight of 160.18 g/mol. Its IUPAC name is (methyliminomethylamino) N-(2-aminoethyl)carbamate.

Molecular Properties

Compound Name(methyliminomethylamino) N-(2-aminoethyl)carbamate
PubChem CID142470605
Molecular FormulaC5H12N4O2
Molecular Weight160.18 g/mol
Exact Mass160.10
IUPAC Name(methyliminomethylamino) N-(2-aminoethyl)carbamate
SMILESC/N=C/NOC(=O)NCCN
InChIInChI=1S/C5H12N4O2/c1-7-4-9-11-5(10)8-3-2-6/h4H,2-3,6H2,1H3,(H,7,9)(H,8,10)
InChIKeyBMUMNCZXMGEPIL-UHFFFAOYSA-N
XLogP-1.17
TPSA88.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl N-(2-aminoethyl)carbamate;propane
CID 160898455
(Z)-4-(2-aminoethylamino)-N-methyl-4-(methyliminomethylamino)but-3-enamide
CID 90245822
2-[[2-(methyliminomethylamino)oxyacetyl]amino]ethyl carbamate
CID 175942275
N,N'-bis(2-aminoethyl)but-2-enediamide
CID 86151646
cyclopropyl N-(2-aminoethyl)carbamate
CID 105428634
N-(2-formamidoethyl)-2-(methyliminomethylamino)oxyacetamide
CID 142470512
(E)-N-(2-aminoethyl)-2-methylpent-2-enamide
CID 60966147
N-(2-aminoethyl)acetamide;ethanamine
CID 142425997
2,3-dihydroxypropyl N-(2-aminoethyl)carbamate
CID 139478100
2-ethenylsulfonylethyl N-(2-aminoethyl)carbamate
CID 58003244
tert-butyl N-(2-aminoethyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;propan-1-amine
CID 160721898
2-(2-methylpropoxy)ethyl N-(2-aminoethyl)carbamate;hydroiodide
CID 173355847

Frequently Asked Questions

What is the IUPAC name of (methyliminomethylamino) N-(2-aminoethyl)carbamate?
The IUPAC name of (methyliminomethylamino) N-(2-aminoethyl)carbamate (CID 142470605) is (methyliminomethylamino) N-(2-aminoethyl)carbamate.
What is the SMILES notation for (methyliminomethylamino) N-(2-aminoethyl)carbamate?
The canonical SMILES for (methyliminomethylamino) N-(2-aminoethyl)carbamate is C/N=C/NOC(=O)NCCN.
What is the InChIKey of (methyliminomethylamino) N-(2-aminoethyl)carbamate?
The InChIKey is BMUMNCZXMGEPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4O2/c1-7-4-9-11-5(10)8-3-2-6/h4H,2-3,6H2,1H3,(H,7,9)(H,8,10).
What are the key properties of (methyliminomethylamino) N-(2-aminoethyl)carbamate?
(methyliminomethylamino) N-(2-aminoethyl)carbamate has a molecular weight of 160.18 g/mol, XLogP of -1.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (methyliminomethylamino) N-(2-aminoethyl)carbamate is sourced from PubChem (CID 142470605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).