N-[(3-methyl-2-methyliminobutylidene)-λ3-iodanyl]but-1-en-2-amine

C10H19IN2 — CID 146745737

IUPACN-[(3-methyl-2-methyliminobutylidene)-λ3-iodanyl]but-1-en-2-amine
SMILESC=C(CC)N/I=C/C(=N/C)C(C)C
InChIInChI=1S/C10H19IN2/c1-6-9(4)13-11-7-10(12-5)8(2)3/h7-8,13H,4,6H2,1-3,5H3/b12-10-
InChIKeyRLYXNUJAOGMCST-BENRWUELSA-N
MW294.18 g/mol
LogP2.91
Rot. Bonds5

About N-[(3-methyl-2-methyliminobutylidene)-λ3-iodanyl]but-1-en-2-amine

N-[(3-methyl-2-methyliminobutylidene)-λ3-iodanyl]but-1-en-2-amine (PubChem CID 146745737) has the molecular formula C10H19IN2 and a molecular weight of 294.18 g/mol. Its IUPAC name is N-[(3-methyl-2-methyliminobutylidene)-λ3-iodanyl]but-1-en-2-amine.

Molecular Properties

Compound NameN-[(3-methyl-2-methyliminobutylidene)-λ3-iodanyl]but-1-en-2-amine
PubChem CID146745737
Molecular FormulaC10H19IN2
Molecular Weight294.18 g/mol
Exact Mass294.06
IUPAC NameN-[(3-methyl-2-methyliminobutylidene)-λ3-iodanyl]but-1-en-2-amine
SMILESC=C(CC)N/I=C/C(=N/C)C(C)C
InChIInChI=1S/C10H19IN2/c1-6-9(4)13-11-7-10(12-5)8(2)3/h7-8,13H,4,6H2,1-3,5H3/b12-10-
InChIKeyRLYXNUJAOGMCST-BENRWUELSA-N
XLogP2.91
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-methyliminobutylidene)-λ3-iodanyl]but-1-en-2-amine?
The IUPAC name of N-[(3-methyl-2-methyliminobutylidene)-λ3-iodanyl]but-1-en-2-amine (CID 146745737) is N-[(3-methyl-2-methyliminobutylidene)-λ3-iodanyl]but-1-en-2-amine.
What is the SMILES notation for N-[(3-methyl-2-methyliminobutylidene)-λ3-iodanyl]but-1-en-2-amine?
The canonical SMILES for N-[(3-methyl-2-methyliminobutylidene)-λ3-iodanyl]but-1-en-2-amine is C=C(CC)N/I=C/C(=N/C)C(C)C.
What is the InChIKey of N-[(3-methyl-2-methyliminobutylidene)-λ3-iodanyl]but-1-en-2-amine?
The InChIKey is RLYXNUJAOGMCST-BENRWUELSA-N. The full InChI is InChI=1S/C10H19IN2/c1-6-9(4)13-11-7-10(12-5)8(2)3/h7-8,13H,4,6H2,1-3,5H3/b12-10-.
What are the key properties of N-[(3-methyl-2-methyliminobutylidene)-λ3-iodanyl]but-1-en-2-amine?
N-[(3-methyl-2-methyliminobutylidene)-λ3-iodanyl]but-1-en-2-amine has a molecular weight of 294.18 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2-methyliminobutylidene)-λ3-iodanyl]but-1-en-2-amine is sourced from PubChem (CID 146745737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).