N-[2-(2-aminoethylamino)ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide

C9H21N3O2 — CID 141115607

IUPACN-[2-(2-aminoethylamino)ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide
SMILESCC(C)(C)ON(C=O)CCNCCN
InChIInChI=1S/C9H21N3O2/c1-9(2,3)14-12(8-13)7-6-11-5-4-10/h8,11H,4-7,10H2,1-3H3
InChIKeyPSVKVCQVDQGAIE-UHFFFAOYSA-N
MW203.29 g/mol
LogP-0.28
Rot. Bonds7

About N-[2-(2-aminoethylamino)ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide

N-[2-(2-aminoethylamino)ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide (PubChem CID 141115607) has the molecular formula C9H21N3O2 and a molecular weight of 203.29 g/mol. Its IUPAC name is N-[2-(2-aminoethylamino)ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide.

Molecular Properties

Compound NameN-[2-(2-aminoethylamino)ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide
PubChem CID141115607
Molecular FormulaC9H21N3O2
Molecular Weight203.29 g/mol
Exact Mass203.16
IUPAC NameN-[2-(2-aminoethylamino)ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide
SMILESCC(C)(C)ON(C=O)CCNCCN
InChIInChI=1S/C9H21N3O2/c1-9(2,3)14-12(8-13)7-6-11-5-4-10/h8,11H,4-7,10H2,1-3H3
InChIKeyPSVKVCQVDQGAIE-UHFFFAOYSA-N
XLogP-0.28
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(methylamino)ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide
CID 91320037
N-[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]ethyl]hexanamide
CID 21307046
3-[formyl-[(2-methylpropan-2-yl)oxy]amino]propanoic acid
CID 21306999
tert-butyl N,N-bis[2-[2-(2-aminoethylamino)ethylamino]ethyl]carbamate
CID 102129204
2-[formyl-[(2-methylpropan-2-yl)oxy]amino]ethyl formate
CID 87925027
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-hydroperoxy-2-methylpropane
CID 161199167
(E)-7-[formyl-[(2-methylpropan-2-yl)oxy]amino]hept-2-enoic acid
CID 87530853
N'-[2-[2-[2-aminoethyl(tert-butyl)amino]ethylamino]ethyl]ethane-1,2-diamine
CID 59825307
N'-[2-(dioctadecylamino)ethyl]ethane-1,2-diamine
CID 19593405
N-[3-(N-methylanilino)propyl]-N-[(2-methylpropan-2-yl)oxy]formamide
CID 57048026
N-[[4-[3-[methyl-[2-(methylamino)ethyl]amino]propyl]phenyl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide
CID 87982052
N'-(2-aminoethyl)ethane-1,2-diamine;N,N-dioctyloctan-1-amine
CID 19864694

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethylamino)ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
The IUPAC name of N-[2-(2-aminoethylamino)ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide (CID 141115607) is N-[2-(2-aminoethylamino)ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide.
What is the SMILES notation for N-[2-(2-aminoethylamino)ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
The canonical SMILES for N-[2-(2-aminoethylamino)ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide is CC(C)(C)ON(C=O)CCNCCN.
What is the InChIKey of N-[2-(2-aminoethylamino)ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
The InChIKey is PSVKVCQVDQGAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2/c1-9(2,3)14-12(8-13)7-6-11-5-4-10/h8,11H,4-7,10H2,1-3H3.
What are the key properties of N-[2-(2-aminoethylamino)ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
N-[2-(2-aminoethylamino)ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide has a molecular weight of 203.29 g/mol, XLogP of -0.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethylamino)ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide is sourced from PubChem (CID 141115607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).