N-[2-[2-[bis[2-(2-aminoethoxy)ethyl]amino]ethylamino]ethyl]formamide

C13H31N5O3 — CID 176987350

IUPACN-[2-[2-[bis[2-(2-aminoethoxy)ethyl]amino]ethylamino]ethyl]formamide
SMILESNCCOCCN(CCNCCNC=O)CCOCCN
InChIInChI=1S/C13H31N5O3/c14-1-9-20-11-7-18(8-12-21-10-2-15)6-5-16-3-4-17-13-19/h13,16H,1-12,14-15H2,(H,17,19)
InChIKeyCZVKNWXCNNSQRT-UHFFFAOYSA-N
MW305.42 g/mol
LogP-2.43
Rot. Bonds17

About N-[2-[2-[bis[2-(2-aminoethoxy)ethyl]amino]ethylamino]ethyl]formamide

N-[2-[2-[bis[2-(2-aminoethoxy)ethyl]amino]ethylamino]ethyl]formamide (PubChem CID 176987350) has the molecular formula C13H31N5O3 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[2-[2-[bis[2-(2-aminoethoxy)ethyl]amino]ethylamino]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[2-[bis[2-(2-aminoethoxy)ethyl]amino]ethylamino]ethyl]formamide
PubChem CID176987350
Molecular FormulaC13H31N5O3
Molecular Weight305.42 g/mol
Exact Mass305.24
IUPAC NameN-[2-[2-[bis[2-(2-aminoethoxy)ethyl]amino]ethylamino]ethyl]formamide
SMILESNCCOCCN(CCNCCNC=O)CCOCCN
InChIInChI=1S/C13H31N5O3/c14-1-9-20-11-7-18(8-12-21-10-2-15)6-5-16-3-4-17-13-19/h13,16H,1-12,14-15H2,(H,17,19)
InChIKeyCZVKNWXCNNSQRT-UHFFFAOYSA-N
XLogP-2.43
TPSA114.87 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 5-2.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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

N'-[2-[bis[2-(2-aminoethoxy)ethyl]amino]ethyl]ethane-1,2-diamine
CID 176987325
[2-[2-[bis[2-(2-aminoethoxy)ethyl]amino]ethylamino]ethylamino]methanone;fermium
CID 176987349
N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]ethoxy]ethyl]formamide
CID 156794668
N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]formamide
CID 121459092
N-[2-(2-formamidoethylamino)ethyl]formamide
CID 89321401
2-[2-[2-(2-aminoethoxy)ethylamino]ethoxy]ethanamine
CID 15792937
3-[2-[bis[2-(3-oxopropoxy)ethyl]amino]ethoxy]propanal
CID 139446928
2-[bis[2-[2-(2-aminoethoxy)ethoxy]ethyl]amino]ethanol
CID 59518679
2-[3-[2-(2-aminoethoxy)ethoxy]propanoylamino]-N-[1-(2-formamidoethylamino)-1-oxopropan-2-yl]propanamide;ethane
CID 176965805
N,N-bis[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]butan-1-amine
CID 134252027
1-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethylamino]-3-[2-[2-[3-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethylamino]-2-hydroxypropoxy]ethoxy]ethoxy]propan-2-ol
CID 20686698
N'-[2-[2-aminoethyl-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethylamino]ethyl]amino]ethyl]ethane-1,2-diamine
CID 171053693

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[bis[2-(2-aminoethoxy)ethyl]amino]ethylamino]ethyl]formamide?
The IUPAC name of N-[2-[2-[bis[2-(2-aminoethoxy)ethyl]amino]ethylamino]ethyl]formamide (CID 176987350) is N-[2-[2-[bis[2-(2-aminoethoxy)ethyl]amino]ethylamino]ethyl]formamide.
What is the SMILES notation for N-[2-[2-[bis[2-(2-aminoethoxy)ethyl]amino]ethylamino]ethyl]formamide?
The canonical SMILES for N-[2-[2-[bis[2-(2-aminoethoxy)ethyl]amino]ethylamino]ethyl]formamide is NCCOCCN(CCNCCNC=O)CCOCCN.
What is the InChIKey of N-[2-[2-[bis[2-(2-aminoethoxy)ethyl]amino]ethylamino]ethyl]formamide?
The InChIKey is CZVKNWXCNNSQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31N5O3/c14-1-9-20-11-7-18(8-12-21-10-2-15)6-5-16-3-4-17-13-19/h13,16H,1-12,14-15H2,(H,17,19).
What are the key properties of N-[2-[2-[bis[2-(2-aminoethoxy)ethyl]amino]ethylamino]ethyl]formamide?
N-[2-[2-[bis[2-(2-aminoethoxy)ethyl]amino]ethylamino]ethyl]formamide has a molecular weight of 305.42 g/mol, XLogP of -2.43, 17 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[bis[2-(2-aminoethoxy)ethyl]amino]ethylamino]ethyl]formamide is sourced from PubChem (CID 176987350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).