N-iodo-N-methyloct-7-en-1-amine

C9H18IN — CID 170105765

IUPACN-iodo-N-methyloct-7-en-1-amine
SMILESC=CCCCCCCN(C)I
InChIInChI=1S/C9H18IN/c1-3-4-5-6-7-8-9-11(2)10/h3H,1,4-9H2,2H3
InChIKeyFZIZTQQTCVPLSL-UHFFFAOYSA-N
MW267.15 g/mol
LogP3.40
Rot. Bonds7

About N-iodo-N-methyloct-7-en-1-amine

N-iodo-N-methyloct-7-en-1-amine (PubChem CID 170105765) has the molecular formula C9H18IN and a molecular weight of 267.15 g/mol. Its IUPAC name is N-iodo-N-methyloct-7-en-1-amine.

Molecular Properties

Compound NameN-iodo-N-methyloct-7-en-1-amine
PubChem CID170105765
Molecular FormulaC9H18IN
Molecular Weight267.15 g/mol
Exact Mass267.05
IUPAC NameN-iodo-N-methyloct-7-en-1-amine
SMILESC=CCCCCCCN(C)I
InChIInChI=1S/C9H18IN/c1-3-4-5-6-7-8-9-11(2)10/h3H,1,4-9H2,2H3
InChIKeyFZIZTQQTCVPLSL-UHFFFAOYSA-N
XLogP3.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.15
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

heptacosa-1,26-diene
CID 58905535
heptadeca-1,16-diene
CID 6429392
N,N-dibutylhept-6-en-1-amine
CID 126749828
2-[hept-6-enyl(methyl)amino]propan-1-ol
CID 107010121
N,N-dimethylpent-4-en-1-amine;ethane
CID 155570199
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
octadec-1-ene;tetradec-1-ene
CID 158470925
dec-1-ene;dodec-1-ene;tetradec-1-ene
CID 159177706
1-[1,2-dihydroxypropyl(undec-10-enyl)amino]propane-1,2-diol
CID 101343818
7-iodohept-1-ene
CID 10632882
octadecane;octadec-1-ene
CID 162018238
non-1-ene
CID 141296734

Frequently Asked Questions

What is the IUPAC name of N-iodo-N-methyloct-7-en-1-amine?
The IUPAC name of N-iodo-N-methyloct-7-en-1-amine (CID 170105765) is N-iodo-N-methyloct-7-en-1-amine.
What is the SMILES notation for N-iodo-N-methyloct-7-en-1-amine?
The canonical SMILES for N-iodo-N-methyloct-7-en-1-amine is C=CCCCCCCN(C)I.
What is the InChIKey of N-iodo-N-methyloct-7-en-1-amine?
The InChIKey is FZIZTQQTCVPLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18IN/c1-3-4-5-6-7-8-9-11(2)10/h3H,1,4-9H2,2H3.
What are the key properties of N-iodo-N-methyloct-7-en-1-amine?
N-iodo-N-methyloct-7-en-1-amine has a molecular weight of 267.15 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-N-methyloct-7-en-1-amine is sourced from PubChem (CID 170105765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).