[2-(2-aminoethylamino)ethylamino]-trimethylazanium;prop-2-enamide

C10H26N5O+ — CID 174382567

IUPAC[2-(2-aminoethylamino)ethylamino]-trimethylazanium;prop-2-enamide
SMILESC=CC(N)=O.C[N+](C)(C)NCCNCCN
InChIInChI=1S/C7H21N4.C3H5NO/c1-11(2,3)10-7-6-9-5-4-8;1-2-3(4)5/h9-10H,4-8H2,1-3H3;2H,1H2,(H2,4,5)/q+1;
InChIKeyPNJZHNBBFLUPGB-UHFFFAOYSA-N
MW232.35 g/mol
LogP-1.60
Rot. Bonds7

About [2-(2-aminoethylamino)ethylamino]-trimethylazanium;prop-2-enamide

[2-(2-aminoethylamino)ethylamino]-trimethylazanium;prop-2-enamide (PubChem CID 174382567) has the molecular formula C10H26N5O+ and a molecular weight of 232.35 g/mol. Its IUPAC name is [2-(2-aminoethylamino)ethylamino]-trimethylazanium;prop-2-enamide.

Molecular Properties

Compound Name[2-(2-aminoethylamino)ethylamino]-trimethylazanium;prop-2-enamide
PubChem CID174382567
Molecular FormulaC10H26N5O+
Molecular Weight232.35 g/mol
Exact Mass232.21
IUPAC Name[2-(2-aminoethylamino)ethylamino]-trimethylazanium;prop-2-enamide
SMILESC=CC(N)=O.C[N+](C)(C)NCCNCCN
InChIInChI=1S/C7H21N4.C3H5NO/c1-11(2,3)10-7-6-9-5-4-8;1-2-3(4)5/h9-10H,4-8H2,1-3H3;2H,1H2,(H2,4,5)/q+1;
InChIKeyPNJZHNBBFLUPGB-UHFFFAOYSA-N
XLogP-1.60
TPSA93.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 5-1.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

acetamide;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 140516466
trimethyl-[2-(prop-2-enoylamino)ethylamino]azanium
CID 174542522
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;carbamic acid
CID 158173045
ethane-1,2-diamine;bis(prop-2-enamide)
CID 23336954
2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]acetamide
CID 57107156
acetic acid;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 30081
acetic acid;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 159794226
CID 118976628
CID 118976628
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;methylphosphonic acid
CID 162177359
N-pentylpentan-1-amine;prop-2-enamide;prop-2-enoic acid;hydrochloride
CID 173494842
N-ethylbutan-1-amine;prop-2-enamide
CID 158418621
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;2-methylprop-1-ene
CID 88832699

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethylamino)ethylamino]-trimethylazanium;prop-2-enamide?
The IUPAC name of [2-(2-aminoethylamino)ethylamino]-trimethylazanium;prop-2-enamide (CID 174382567) is [2-(2-aminoethylamino)ethylamino]-trimethylazanium;prop-2-enamide.
What is the SMILES notation for [2-(2-aminoethylamino)ethylamino]-trimethylazanium;prop-2-enamide?
The canonical SMILES for [2-(2-aminoethylamino)ethylamino]-trimethylazanium;prop-2-enamide is C=CC(N)=O.C[N+](C)(C)NCCNCCN.
What is the InChIKey of [2-(2-aminoethylamino)ethylamino]-trimethylazanium;prop-2-enamide?
The InChIKey is PNJZHNBBFLUPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H21N4.C3H5NO/c1-11(2,3)10-7-6-9-5-4-8;1-2-3(4)5/h9-10H,4-8H2,1-3H3;2H,1H2,(H2,4,5)/q+1;.
What are the key properties of [2-(2-aminoethylamino)ethylamino]-trimethylazanium;prop-2-enamide?
[2-(2-aminoethylamino)ethylamino]-trimethylazanium;prop-2-enamide has a molecular weight of 232.35 g/mol, XLogP of -1.60, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoethylamino)ethylamino]-trimethylazanium;prop-2-enamide is sourced from PubChem (CID 174382567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).