N-ethyl-7-iodoheptan-1-amine

C9H20IN — CID 152937325

IUPACN-ethyl-7-iodoheptan-1-amine
SMILESCCNCCCCCCCI
InChIInChI=1S/C9H20IN/c1-2-11-9-7-5-3-4-6-8-10/h11H,2-9H2,1H3
InChIKeyUVTLDHNXFBYLTM-UHFFFAOYSA-N
MW269.17 g/mol
LogP2.98
Rot. Bonds8

About N-ethyl-7-iodoheptan-1-amine

N-ethyl-7-iodoheptan-1-amine (PubChem CID 152937325) has the molecular formula C9H20IN and a molecular weight of 269.17 g/mol. Its IUPAC name is N-ethyl-7-iodoheptan-1-amine.

Molecular Properties

Compound NameN-ethyl-7-iodoheptan-1-amine
PubChem CID152937325
Molecular FormulaC9H20IN
Molecular Weight269.17 g/mol
Exact Mass269.06
IUPAC NameN-ethyl-7-iodoheptan-1-amine
SMILESCCNCCCCCCCI
InChIInChI=1S/C9H20IN/c1-2-11-9-7-5-3-4-6-8-10/h11H,2-9H2,1H3
InChIKeyUVTLDHNXFBYLTM-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

N-ethyl-4-iodobutan-1-amine
CID 87850585
N,N'-diethylpentane-1,5-diamine
CID 15013244
N-ethyl-N'-[9-(ethylamino)nonyl]nonane-1,9-diamine
CID 58260221
12-iodo-N-propyldodecan-1-amine
CID 166998294
N-(4-iodobutyl)octan-1-amine
CID 106844597
N-ethyl-N'-[4-[4-(ethylamino)butylamino]butyl]pentane-1,5-diamine;N-ethyl-N'-[4-[3-(ethylamino)propylamino]butyl]butane-1,4-diamine;N-ethyl-N'-[3-[3-(ethylamino)propylamino]propyl]butane-1,4-diamine
CID 159678925
N,N'-bis[3-(ethylamino)propyl]pentane-1,5-diamine;tetrahydrobromide
CID 86261000
N-(3-iodopropyl)octan-1-amine
CID 114503684
N-ethyltetradecan-1-amine;hydrochloride
CID 174740266
N'-butyl-N-ethylnonane-1,9-diamine
CID 138750457
ethane;N-ethylhexan-1-amine
CID 143229911
N-ethyl-N'-octadecylpropane-1,3-diamine
CID 175605866

Frequently Asked Questions

What is the IUPAC name of N-ethyl-7-iodoheptan-1-amine?
The IUPAC name of N-ethyl-7-iodoheptan-1-amine (CID 152937325) is N-ethyl-7-iodoheptan-1-amine.
What is the SMILES notation for N-ethyl-7-iodoheptan-1-amine?
The canonical SMILES for N-ethyl-7-iodoheptan-1-amine is CCNCCCCCCCI.
What is the InChIKey of N-ethyl-7-iodoheptan-1-amine?
The InChIKey is UVTLDHNXFBYLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20IN/c1-2-11-9-7-5-3-4-6-8-10/h11H,2-9H2,1H3.
What are the key properties of N-ethyl-7-iodoheptan-1-amine?
N-ethyl-7-iodoheptan-1-amine has a molecular weight of 269.17 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7-iodoheptan-1-amine is sourced from PubChem (CID 152937325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).