N-iodo-2-(undec-10-enylideneamino)ethanamine

C13H25IN2 — CID 146475864

IUPACN-iodo-2-(undec-10-enylideneamino)ethanamine
SMILESC=CCCCCCCCC/C=N/CCNI
InChIInChI=1S/C13H25IN2/c1-2-3-4-5-6-7-8-9-10-11-15-12-13-16-14/h2,11,16H,1,3-10,12-13H2/b15-11+
InChIKeyMGJQYEFKZDBFQH-RVDMUPIBSA-N
MW336.26 g/mol
LogP4.30
Rot. Bonds12

About N-iodo-2-(undec-10-enylideneamino)ethanamine

N-iodo-2-(undec-10-enylideneamino)ethanamine (PubChem CID 146475864) has the molecular formula C13H25IN2 and a molecular weight of 336.26 g/mol. Its IUPAC name is N-iodo-2-(undec-10-enylideneamino)ethanamine.

Molecular Properties

Compound NameN-iodo-2-(undec-10-enylideneamino)ethanamine
PubChem CID146475864
Molecular FormulaC13H25IN2
Molecular Weight336.26 g/mol
Exact Mass336.11
IUPAC NameN-iodo-2-(undec-10-enylideneamino)ethanamine
SMILESC=CCCCCCCCC/C=N/CCNI
InChIInChI=1S/C13H25IN2/c1-2-3-4-5-6-7-8-9-10-11-15-12-13-16-14/h2,11,16H,1,3-10,12-13H2/b15-11+
InChIKeyMGJQYEFKZDBFQH-RVDMUPIBSA-N
XLogP4.30
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.26
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(Oct-7-enylideneamino)nona-1,8-dien-5-amine
CID 57271448
2-(Undec-10-enylideneamino)ethanamine
CID 121341438
N-methyl-2-(undec-10-enylideneamino)ethanamine
CID 137399758
6-(Undec-10-enylideneamino)hexan-1-amine
CID 177942003

Frequently Asked Questions

What is the IUPAC name of N-iodo-2-(undec-10-enylideneamino)ethanamine?
The IUPAC name of N-iodo-2-(undec-10-enylideneamino)ethanamine (CID 146475864) is N-iodo-2-(undec-10-enylideneamino)ethanamine.
What is the SMILES notation for N-iodo-2-(undec-10-enylideneamino)ethanamine?
The canonical SMILES for N-iodo-2-(undec-10-enylideneamino)ethanamine is C=CCCCCCCCC/C=N/CCNI.
What is the InChIKey of N-iodo-2-(undec-10-enylideneamino)ethanamine?
The InChIKey is MGJQYEFKZDBFQH-RVDMUPIBSA-N. The full InChI is InChI=1S/C13H25IN2/c1-2-3-4-5-6-7-8-9-10-11-15-12-13-16-14/h2,11,16H,1,3-10,12-13H2/b15-11+.
What are the key properties of N-iodo-2-(undec-10-enylideneamino)ethanamine?
N-iodo-2-(undec-10-enylideneamino)ethanamine has a molecular weight of 336.26 g/mol, XLogP of 4.30, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-2-(undec-10-enylideneamino)ethanamine is sourced from PubChem (CID 146475864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).