(Z)-2-(2-iodobutylideneamino)prop-1-en-1-amine

C7H13IN2 — CID 146568574

IUPAC(Z)-2-(2-iodobutylideneamino)prop-1-en-1-amine
SMILESCCC(I)/C=N/C(C)=C\N
InChIInChI=1S/C7H13IN2/c1-3-7(8)5-10-6(2)4-9/h4-5,7H,3,9H2,1-2H3/b6-4-,10-5+
InChIKeyKZURUQVLCNUCRC-KNVSICBPSA-N
MW252.10 g/mol
LogP2.09
Rot. Bonds3

About (Z)-2-(2-iodobutylideneamino)prop-1-en-1-amine

(Z)-2-(2-iodobutylideneamino)prop-1-en-1-amine (PubChem CID 146568574) has the molecular formula C7H13IN2 and a molecular weight of 252.10 g/mol. Its IUPAC name is (Z)-2-(2-iodobutylideneamino)prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-(2-iodobutylideneamino)prop-1-en-1-amine
PubChem CID146568574
Molecular FormulaC7H13IN2
Molecular Weight252.10 g/mol
Exact Mass252.01
IUPAC Name(Z)-2-(2-iodobutylideneamino)prop-1-en-1-amine
SMILESCCC(I)/C=N/C(C)=C\N
InChIInChI=1S/C7H13IN2/c1-3-7(8)5-10-6(2)4-9/h4-5,7H,3,9H2,1-2H3/b6-4-,10-5+
InChIKeyKZURUQVLCNUCRC-KNVSICBPSA-N
XLogP2.09
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.10
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(2-iodobutylideneamino)prop-1-en-1-amine?
The IUPAC name of (Z)-2-(2-iodobutylideneamino)prop-1-en-1-amine (CID 146568574) is (Z)-2-(2-iodobutylideneamino)prop-1-en-1-amine.
What is the SMILES notation for (Z)-2-(2-iodobutylideneamino)prop-1-en-1-amine?
The canonical SMILES for (Z)-2-(2-iodobutylideneamino)prop-1-en-1-amine is CCC(I)/C=N/C(C)=C\N.
What is the InChIKey of (Z)-2-(2-iodobutylideneamino)prop-1-en-1-amine?
The InChIKey is KZURUQVLCNUCRC-KNVSICBPSA-N. The full InChI is InChI=1S/C7H13IN2/c1-3-7(8)5-10-6(2)4-9/h4-5,7H,3,9H2,1-2H3/b6-4-,10-5+.
What are the key properties of (Z)-2-(2-iodobutylideneamino)prop-1-en-1-amine?
(Z)-2-(2-iodobutylideneamino)prop-1-en-1-amine has a molecular weight of 252.10 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(2-iodobutylideneamino)prop-1-en-1-amine is sourced from PubChem (CID 146568574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).