N-(3-iodopropyl)-3,3-dimethylbutan-1-amine

C9H20IN — CID 114503605

IUPACN-(3-iodopropyl)-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)CCNCCCI
InChIInChI=1S/C9H20IN/c1-9(2,3)5-8-11-7-4-6-10/h11H,4-8H2,1-3H3
InChIKeyNUFSQTFSCUARJA-UHFFFAOYSA-N
MW269.17 g/mol
LogP2.84
Rot. Bonds5

About N-(3-iodopropyl)-3,3-dimethylbutan-1-amine

N-(3-iodopropyl)-3,3-dimethylbutan-1-amine (PubChem CID 114503605) has the molecular formula C9H20IN and a molecular weight of 269.17 g/mol. Its IUPAC name is N-(3-iodopropyl)-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-(3-iodopropyl)-3,3-dimethylbutan-1-amine
PubChem CID114503605
Molecular FormulaC9H20IN
Molecular Weight269.17 g/mol
Exact Mass269.06
IUPAC NameN-(3-iodopropyl)-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)CCNCCCI
InChIInChI=1S/C9H20IN/c1-9(2,3)5-8-11-7-4-6-10/h11H,4-8H2,1-3H3
InChIKeyNUFSQTFSCUARJA-UHFFFAOYSA-N
XLogP2.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of N-(3-iodopropyl)-3,3-dimethylbutan-1-amine?
The IUPAC name of N-(3-iodopropyl)-3,3-dimethylbutan-1-amine (CID 114503605) is N-(3-iodopropyl)-3,3-dimethylbutan-1-amine.
What is the SMILES notation for N-(3-iodopropyl)-3,3-dimethylbutan-1-amine?
The canonical SMILES for N-(3-iodopropyl)-3,3-dimethylbutan-1-amine is CC(C)(C)CCNCCCI.
What is the InChIKey of N-(3-iodopropyl)-3,3-dimethylbutan-1-amine?
The InChIKey is NUFSQTFSCUARJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20IN/c1-9(2,3)5-8-11-7-4-6-10/h11H,4-8H2,1-3H3.
What are the key properties of N-(3-iodopropyl)-3,3-dimethylbutan-1-amine?
N-(3-iodopropyl)-3,3-dimethylbutan-1-amine has a molecular weight of 269.17 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodopropyl)-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 114503605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).