N-[2-[2-[2-(propan-2-ylamino)ethylamino]ethoxy]ethyl]formamide

C10H23N3O2 — CID 142623198

IUPACN-[2-[2-[2-(propan-2-ylamino)ethylamino]ethoxy]ethyl]formamide
SMILESCC(C)NCCNCCOCCNC=O
InChIInChI=1S/C10H23N3O2/c1-10(2)13-4-3-11-5-7-15-8-6-12-9-14/h9-11,13H,3-8H2,1-2H3,(H,12,14)
InChIKeyQVJGDBOSIOMEHF-UHFFFAOYSA-N
MW217.31 g/mol
LogP-0.66
Rot. Bonds11

About N-[2-[2-[2-(propan-2-ylamino)ethylamino]ethoxy]ethyl]formamide

N-[2-[2-[2-(propan-2-ylamino)ethylamino]ethoxy]ethyl]formamide (PubChem CID 142623198) has the molecular formula C10H23N3O2 and a molecular weight of 217.31 g/mol. Its IUPAC name is N-[2-[2-[2-(propan-2-ylamino)ethylamino]ethoxy]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[2-[2-(propan-2-ylamino)ethylamino]ethoxy]ethyl]formamide
PubChem CID142623198
Molecular FormulaC10H23N3O2
Molecular Weight217.31 g/mol
Exact Mass217.18
IUPAC NameN-[2-[2-[2-(propan-2-ylamino)ethylamino]ethoxy]ethyl]formamide
SMILESCC(C)NCCNCCOCCNC=O
InChIInChI=1S/C10H23N3O2/c1-10(2)13-4-3-11-5-7-15-8-6-12-9-14/h9-11,13H,3-8H2,1-2H3,(H,12,14)
InChIKeyQVJGDBOSIOMEHF-UHFFFAOYSA-N
XLogP-0.66
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]formamide;2-methylpropane
CID 155582612
N-[2-fluoro-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propyl]formamide
CID 155582507
N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]ethoxy]ethyl]formamide
CID 156794668
N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]propan-1-amine
CID 138727595
N-[2-[2-(2-oxoethylamino)ethoxy]ethyl]formamide
CID 156882800
ethane;2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]acetaldehyde
CID 171646622
N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]formamide
CID 145058844
N-[2-fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]formamide;2-methylpropane
CID 155707201
N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propoxy]propyl]formamide
CID 153390417
3-methylsulfonyl-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine
CID 178004453
N-[2-[2-(2-pentoxyethoxy)ethoxy]ethyl]formamide
CID 156795114
N-[2-[2-[2-[2-(methylsulfanylamino)ethoxy]ethoxy]ethoxy]ethyl]formamide
CID 163400228

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(propan-2-ylamino)ethylamino]ethoxy]ethyl]formamide?
The IUPAC name of N-[2-[2-[2-(propan-2-ylamino)ethylamino]ethoxy]ethyl]formamide (CID 142623198) is N-[2-[2-[2-(propan-2-ylamino)ethylamino]ethoxy]ethyl]formamide.
What is the SMILES notation for N-[2-[2-[2-(propan-2-ylamino)ethylamino]ethoxy]ethyl]formamide?
The canonical SMILES for N-[2-[2-[2-(propan-2-ylamino)ethylamino]ethoxy]ethyl]formamide is CC(C)NCCNCCOCCNC=O.
What is the InChIKey of N-[2-[2-[2-(propan-2-ylamino)ethylamino]ethoxy]ethyl]formamide?
The InChIKey is QVJGDBOSIOMEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2/c1-10(2)13-4-3-11-5-7-15-8-6-12-9-14/h9-11,13H,3-8H2,1-2H3,(H,12,14).
What are the key properties of N-[2-[2-[2-(propan-2-ylamino)ethylamino]ethoxy]ethyl]formamide?
N-[2-[2-[2-(propan-2-ylamino)ethylamino]ethoxy]ethyl]formamide has a molecular weight of 217.31 g/mol, XLogP of -0.66, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(propan-2-ylamino)ethylamino]ethoxy]ethyl]formamide is sourced from PubChem (CID 142623198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).