6-iodo-N-[2-(3-methoxypropoxy)ethyl]hexan-1-amine

C12H26INO2 — CID 107844873

IUPAC6-iodo-N-[2-(3-methoxypropoxy)ethyl]hexan-1-amine
SMILESCOCCCOCCNCCCCCCI
InChIInChI=1S/C12H26INO2/c1-15-10-6-11-16-12-9-14-8-5-3-2-4-7-13/h14H,2-12H2,1H3
InChIKeyABFRPEPOGWAHGW-UHFFFAOYSA-N
MW343.25 g/mol
LogP2.62
Rot. Bonds13

About 6-iodo-N-[2-(3-methoxypropoxy)ethyl]hexan-1-amine

6-iodo-N-[2-(3-methoxypropoxy)ethyl]hexan-1-amine (PubChem CID 107844873) has the molecular formula C12H26INO2 and a molecular weight of 343.25 g/mol. Its IUPAC name is 6-iodo-N-[2-(3-methoxypropoxy)ethyl]hexan-1-amine.

Molecular Properties

Compound Name6-iodo-N-[2-(3-methoxypropoxy)ethyl]hexan-1-amine
PubChem CID107844873
Molecular FormulaC12H26INO2
Molecular Weight343.25 g/mol
Exact Mass343.10
IUPAC Name6-iodo-N-[2-(3-methoxypropoxy)ethyl]hexan-1-amine
SMILESCOCCCOCCNCCCCCCI
InChIInChI=1S/C12H26INO2/c1-15-10-6-11-16-12-9-14-8-5-3-2-4-7-13/h14H,2-12H2,1H3
InChIKeyABFRPEPOGWAHGW-UHFFFAOYSA-N
XLogP2.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-iodo-N-(2-methoxyethyl)hexan-1-amine
CID 107844777
4-iodo-N-(3-methoxypropyl)butan-1-amine
CID 106844640
3-methoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine
CID 104561644
N-(2-hexoxyethyl)-3-methoxypropan-1-amine
CID 62599714
5-[2-(3-methoxypropoxy)ethoxy]-N-propylpentan-1-amine
CID 103181294
3-(2-chloroethoxy)-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine
CID 106306027
N-(2-bromoethyl)-2-(3-methoxypropoxy)ethanamine
CID 103184074
N-[2-(2-chloroethoxy)ethyl]-4-methoxybutan-1-amine
CID 104649724
N-[2-(2-methoxyethoxy)ethyl]dodecan-1-amine
CID 63492773
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234
6-[2-(2-methoxyethoxy)ethylamino]hexan-1-ol
CID 107703333
6-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]hexan-1-amine
CID 114008238

Frequently Asked Questions

What is the IUPAC name of 6-iodo-N-[2-(3-methoxypropoxy)ethyl]hexan-1-amine?
The IUPAC name of 6-iodo-N-[2-(3-methoxypropoxy)ethyl]hexan-1-amine (CID 107844873) is 6-iodo-N-[2-(3-methoxypropoxy)ethyl]hexan-1-amine.
What is the SMILES notation for 6-iodo-N-[2-(3-methoxypropoxy)ethyl]hexan-1-amine?
The canonical SMILES for 6-iodo-N-[2-(3-methoxypropoxy)ethyl]hexan-1-amine is COCCCOCCNCCCCCCI.
What is the InChIKey of 6-iodo-N-[2-(3-methoxypropoxy)ethyl]hexan-1-amine?
The InChIKey is ABFRPEPOGWAHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26INO2/c1-15-10-6-11-16-12-9-14-8-5-3-2-4-7-13/h14H,2-12H2,1H3.
What are the key properties of 6-iodo-N-[2-(3-methoxypropoxy)ethyl]hexan-1-amine?
6-iodo-N-[2-(3-methoxypropoxy)ethyl]hexan-1-amine has a molecular weight of 343.25 g/mol, XLogP of 2.62, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-N-[2-(3-methoxypropoxy)ethyl]hexan-1-amine is sourced from PubChem (CID 107844873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).