2-[2-(ethylamino)propan-2-yliodanuidyl]propan-2-amine

C8H20IN2- — CID 163781431

IUPAC2-[2-(ethylamino)propan-2-yliodanuidyl]propan-2-amine
SMILESCCNC(C)(C)[I-]C(C)(C)N
InChIInChI=1S/C8H20IN2/c1-6-11-8(4,5)9-7(2,3)10/h11H,6,10H2,1-5H3/q-1
InChIKeyXQLLPQZAYXZHJV-UHFFFAOYSA-N
MW271.17 g/mol
LogP-1.88
Rot. Bonds4

About 2-[2-(ethylamino)propan-2-yliodanuidyl]propan-2-amine

2-[2-(ethylamino)propan-2-yliodanuidyl]propan-2-amine (PubChem CID 163781431) has the molecular formula C8H20IN2- and a molecular weight of 271.17 g/mol. Its IUPAC name is 2-[2-(ethylamino)propan-2-yliodanuidyl]propan-2-amine.

Molecular Properties

Compound Name2-[2-(ethylamino)propan-2-yliodanuidyl]propan-2-amine
PubChem CID163781431
Molecular FormulaC8H20IN2-
Molecular Weight271.17 g/mol
Exact Mass271.07
IUPAC Name2-[2-(ethylamino)propan-2-yliodanuidyl]propan-2-amine
SMILESCCNC(C)(C)[I-]C(C)(C)N
InChIInChI=1S/C8H20IN2/c1-6-11-8(4,5)9-7(2,3)10/h11H,6,10H2,1-5H3/q-1
InChIKeyXQLLPQZAYXZHJV-UHFFFAOYSA-N
XLogP-1.88
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.17
LogP ≤ 5-1.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-N"-ethylpropane-1,1,1-triamine
CID 155147575
2-methylbutan-2-amine;propane
CID 91035545
2-methylbutan-2-amine;hydrate
CID 173000674
1-N",2-diethylbutane-1,1,1,2-tetramine
CID 21242428
2-methylbutan-2-amine;hydrate;hydrobromide
CID 175153237
2-ethyl-2-(ethylamino)butanamide
CID 60786562
2-N,2-diethylbutane-1,2-diamine
CID 62066019
bis(2-methylpropan-2-amine);propane
CID 160822364
2-aminobutan-2-ol;N-methylmethanamine
CID 174452553
N-ethyl-3-silylpentan-3-amine
CID 173065045
2-N-ethyl-1-N-(3-ethylpentan-3-yl)-2-methylpropane-1,2-diamine
CID 65041307
N-ethyl-3-methylpent-1-en-3-amine
CID 55286067

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylamino)propan-2-yliodanuidyl]propan-2-amine?
The IUPAC name of 2-[2-(ethylamino)propan-2-yliodanuidyl]propan-2-amine (CID 163781431) is 2-[2-(ethylamino)propan-2-yliodanuidyl]propan-2-amine.
What is the SMILES notation for 2-[2-(ethylamino)propan-2-yliodanuidyl]propan-2-amine?
The canonical SMILES for 2-[2-(ethylamino)propan-2-yliodanuidyl]propan-2-amine is CCNC(C)(C)[I-]C(C)(C)N.
What is the InChIKey of 2-[2-(ethylamino)propan-2-yliodanuidyl]propan-2-amine?
The InChIKey is XQLLPQZAYXZHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20IN2/c1-6-11-8(4,5)9-7(2,3)10/h11H,6,10H2,1-5H3/q-1.
What are the key properties of 2-[2-(ethylamino)propan-2-yliodanuidyl]propan-2-amine?
2-[2-(ethylamino)propan-2-yliodanuidyl]propan-2-amine has a molecular weight of 271.17 g/mol, XLogP of -1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylamino)propan-2-yliodanuidyl]propan-2-amine is sourced from PubChem (CID 163781431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).