1-[1-[2-(ethylideneamino)ethyl]cyclopropyl]-N-iodomethanamine

C8H15IN2 — CID 163783790

IUPAC1-[1-[2-(ethylideneamino)ethyl]cyclopropyl]-N-iodomethanamine
SMILESC/C=N/CCC1(CNI)CC1
InChIInChI=1S/C8H15IN2/c1-2-10-6-5-8(3-4-8)7-11-9/h2,11H,3-7H2,1H3/b10-2+
InChIKeyMQVGRISQGABNIJ-WTDSWWLTSA-N
MW266.13 g/mol
LogP2.19
Rot. Bonds5

About 1-[1-[2-(ethylideneamino)ethyl]cyclopropyl]-N-iodomethanamine

1-[1-[2-(ethylideneamino)ethyl]cyclopropyl]-N-iodomethanamine (PubChem CID 163783790) has the molecular formula C8H15IN2 and a molecular weight of 266.13 g/mol. Its IUPAC name is 1-[1-[2-(ethylideneamino)ethyl]cyclopropyl]-N-iodomethanamine.

Molecular Properties

Compound Name1-[1-[2-(ethylideneamino)ethyl]cyclopropyl]-N-iodomethanamine
PubChem CID163783790
Molecular FormulaC8H15IN2
Molecular Weight266.13 g/mol
Exact Mass266.03
IUPAC Name1-[1-[2-(ethylideneamino)ethyl]cyclopropyl]-N-iodomethanamine
SMILESC/C=N/CCC1(CNI)CC1
InChIInChI=1S/C8H15IN2/c1-2-10-6-5-8(3-4-8)7-11-9/h2,11H,3-7H2,1H3/b10-2+
InChIKeyMQVGRISQGABNIJ-WTDSWWLTSA-N
XLogP2.19
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.13
LogP ≤ 52.19
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 1-[1-[2-(ethylideneamino)ethyl]cyclopropyl]-N-iodomethanamine?
The IUPAC name of 1-[1-[2-(ethylideneamino)ethyl]cyclopropyl]-N-iodomethanamine (CID 163783790) is 1-[1-[2-(ethylideneamino)ethyl]cyclopropyl]-N-iodomethanamine.
What is the SMILES notation for 1-[1-[2-(ethylideneamino)ethyl]cyclopropyl]-N-iodomethanamine?
The canonical SMILES for 1-[1-[2-(ethylideneamino)ethyl]cyclopropyl]-N-iodomethanamine is C/C=N/CCC1(CNI)CC1.
What is the InChIKey of 1-[1-[2-(ethylideneamino)ethyl]cyclopropyl]-N-iodomethanamine?
The InChIKey is MQVGRISQGABNIJ-WTDSWWLTSA-N. The full InChI is InChI=1S/C8H15IN2/c1-2-10-6-5-8(3-4-8)7-11-9/h2,11H,3-7H2,1H3/b10-2+.
What are the key properties of 1-[1-[2-(ethylideneamino)ethyl]cyclopropyl]-N-iodomethanamine?
1-[1-[2-(ethylideneamino)ethyl]cyclopropyl]-N-iodomethanamine has a molecular weight of 266.13 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(ethylideneamino)ethyl]cyclopropyl]-N-iodomethanamine is sourced from PubChem (CID 163783790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).