N-[2-(2-aminoethylazaniumyl)ethyl]carbamate

C5H13N3O2 — CID 139591978

IUPACN-[2-(2-aminoethylazaniumyl)ethyl]carbamate
SMILESNCC[NH2+]CCNC(=O)[O-]
InChIInChI=1S/C5H13N3O2/c6-1-2-7-3-4-8-5(9)10/h7-8H,1-4,6H2,(H,9,10)
InChIKeyZUBOWBHHVKFYFL-UHFFFAOYSA-N
MW147.18 g/mol
LogP-3.56
Rot. Bonds5

About N-[2-(2-aminoethylazaniumyl)ethyl]carbamate

N-[2-(2-aminoethylazaniumyl)ethyl]carbamate (PubChem CID 139591978) has the molecular formula C5H13N3O2 and a molecular weight of 147.18 g/mol. Its IUPAC name is N-[2-(2-aminoethylazaniumyl)ethyl]carbamate.

Molecular Properties

Compound NameN-[2-(2-aminoethylazaniumyl)ethyl]carbamate
PubChem CID139591978
Molecular FormulaC5H13N3O2
Molecular Weight147.18 g/mol
Exact Mass147.10
IUPAC NameN-[2-(2-aminoethylazaniumyl)ethyl]carbamate
SMILESNCC[NH2+]CCNC(=O)[O-]
InChIInChI=1S/C5H13N3O2/c6-1-2-7-3-4-8-5(9)10/h7-8H,1-4,6H2,(H,9,10)
InChIKeyZUBOWBHHVKFYFL-UHFFFAOYSA-N
XLogP-3.56
TPSA94.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 5-3.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(6-aminohexyl)carbamate;hexane-1,6-diamine;hydron;molecular hydrogen
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N-(3-trimethoxysilylpropyl)carbamate
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N-(4-azaniumylbutyl)carbamate
CID 119096052
N-(4-oxobutyl)carbamate
CID 18436941
N-[(4S)-4-amino-4-carboxybutyl]carbamate
CID 153456088
N-(2-prop-2-enoyloxyethyl)carbamate
CID 20502002
zinc;ethane-1,2-diamine;carbonate
CID 88673860
3-aminopropylcarbamic acid
CID 3023499
N-[2-(iminoazaniumylideneamino)ethyl]carbamate
CID 130406017
sodium N-dodecylcarbamate
CID 141389395
lithium N-(2-prop-2-enoyloxyethyl)carbamate
CID 140879488
1-(2-aminoethyl)-3-(3-aminopropyl)urea
CID 154943147

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethylazaniumyl)ethyl]carbamate?
The IUPAC name of N-[2-(2-aminoethylazaniumyl)ethyl]carbamate (CID 139591978) is N-[2-(2-aminoethylazaniumyl)ethyl]carbamate.
What is the SMILES notation for N-[2-(2-aminoethylazaniumyl)ethyl]carbamate?
The canonical SMILES for N-[2-(2-aminoethylazaniumyl)ethyl]carbamate is NCC[NH2+]CCNC(=O)[O-].
What is the InChIKey of N-[2-(2-aminoethylazaniumyl)ethyl]carbamate?
The InChIKey is ZUBOWBHHVKFYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O2/c6-1-2-7-3-4-8-5(9)10/h7-8H,1-4,6H2,(H,9,10).
What are the key properties of N-[2-(2-aminoethylazaniumyl)ethyl]carbamate?
N-[2-(2-aminoethylazaniumyl)ethyl]carbamate has a molecular weight of 147.18 g/mol, XLogP of -3.56, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethylazaniumyl)ethyl]carbamate is sourced from PubChem (CID 139591978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).