N-(3-iodopropyl)-2-methylpentan-1-amine

C9H20IN — CID 114503597

IUPACN-(3-iodopropyl)-2-methylpentan-1-amine
SMILESCCCC(C)CNCCCI
InChIInChI=1S/C9H20IN/c1-3-5-9(2)8-11-7-4-6-10/h9,11H,3-8H2,1-2H3
InChIKeyKREKXKZGTKKALP-UHFFFAOYSA-N
MW269.17 g/mol
LogP2.84
Rot. Bonds7

About N-(3-iodopropyl)-2-methylpentan-1-amine

N-(3-iodopropyl)-2-methylpentan-1-amine (PubChem CID 114503597) has the molecular formula C9H20IN and a molecular weight of 269.17 g/mol. Its IUPAC name is N-(3-iodopropyl)-2-methylpentan-1-amine.

Molecular Properties

Compound NameN-(3-iodopropyl)-2-methylpentan-1-amine
PubChem CID114503597
Molecular FormulaC9H20IN
Molecular Weight269.17 g/mol
Exact Mass269.06
IUPAC NameN-(3-iodopropyl)-2-methylpentan-1-amine
SMILESCCCC(C)CNCCCI
InChIInChI=1S/C9H20IN/c1-3-5-9(2)8-11-7-4-6-10/h9,11H,3-8H2,1-2H3
InChIKeyKREKXKZGTKKALP-UHFFFAOYSA-N
XLogP2.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 52.84
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'-[(2S)-2-methylpentyl]ethane-1,2-diamine
CID 122599067
N-(5-methoxypentyl)-2-methylpentan-1-amine
CID 103920788
N,N'-dibutyl-2-methylpropane-1,3-diamine
CID 22075510
N-butyl-N'-(2,4-dimethylheptyl)propane-1,3-diamine
CID 146252280
N-(2-methylpentyl)hexan-1-amine;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene
CID 87883132
2-methyl-N-pentylbutane-1,4-diamine
CID 114987341
N-butyl-2-methylpentane-1,5-diamine
CID 104681936
3-methyl-4-(2-methylpentylamino)butan-1-ol
CID 66092685
2-(2-methylpentylamino)ethanesulfonamide
CID 43551734
N-butyl-4-ethoxy-2-methylbutan-1-amine
CID 156824586
N-(3-iodopropyl)octan-1-amine
CID 114503684
(2R)-N-(3-imidazol-1-ylpropyl)-2-methylpentan-1-amine
CID 28993669

Frequently Asked Questions

What is the IUPAC name of N-(3-iodopropyl)-2-methylpentan-1-amine?
The IUPAC name of N-(3-iodopropyl)-2-methylpentan-1-amine (CID 114503597) is N-(3-iodopropyl)-2-methylpentan-1-amine.
What is the SMILES notation for N-(3-iodopropyl)-2-methylpentan-1-amine?
The canonical SMILES for N-(3-iodopropyl)-2-methylpentan-1-amine is CCCC(C)CNCCCI.
What is the InChIKey of N-(3-iodopropyl)-2-methylpentan-1-amine?
The InChIKey is KREKXKZGTKKALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20IN/c1-3-5-9(2)8-11-7-4-6-10/h9,11H,3-8H2,1-2H3.
What are the key properties of N-(3-iodopropyl)-2-methylpentan-1-amine?
N-(3-iodopropyl)-2-methylpentan-1-amine has a molecular weight of 269.17 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodopropyl)-2-methylpentan-1-amine is sourced from PubChem (CID 114503597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).