N-[cyclobutyl-(3-iodophenyl)methyl]propan-1-amine

C14H20IN — CID 105049407

IUPACN-[cyclobutyl-(3-iodophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(I)c1)C1CCC1
InChIInChI=1S/C14H20IN/c1-2-9-16-14(11-5-3-6-11)12-7-4-8-13(15)10-12/h4,7-8,10-11,14,16H,2-3,5-6,9H2,1H3
InChIKeyUGZXZBDZTGDMCB-UHFFFAOYSA-N
MW329.23 g/mol
LogP4.13
Rot. Bonds5

About N-[cyclobutyl-(3-iodophenyl)methyl]propan-1-amine

N-[cyclobutyl-(3-iodophenyl)methyl]propan-1-amine (PubChem CID 105049407) has the molecular formula C14H20IN and a molecular weight of 329.23 g/mol. Its IUPAC name is N-[cyclobutyl-(3-iodophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclobutyl-(3-iodophenyl)methyl]propan-1-amine
PubChem CID105049407
Molecular FormulaC14H20IN
Molecular Weight329.23 g/mol
Exact Mass329.06
IUPAC NameN-[cyclobutyl-(3-iodophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(I)c1)C1CCC1
InChIInChI=1S/C14H20IN/c1-2-9-16-14(11-5-3-6-11)12-7-4-8-13(15)10-12/h4,7-8,10-11,14,16H,2-3,5-6,9H2,1H3
InChIKeyUGZXZBDZTGDMCB-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-iodophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine
CID 104991968
N-[cycloheptyl-(3-iodophenyl)methyl]ethanamine
CID 105027846
N-[(3-cyclobutylphenyl)-cyclohexylmethyl]propan-1-amine
CID 114602717
N-[(3-chlorophenyl)-cyclooctylmethyl]propan-1-amine
CID 80610112
N-[cyclobutyl-(3-propoxyphenyl)methyl]propan-1-amine
CID 105049374
3-[cycloheptyl(propylamino)methyl]-N,N-dimethylaniline
CID 105176253
N-[cyclopropyl-(3-fluorophenyl)methyl]propan-1-amine
CID 60818901
N-[cyclopentyl-(3-propoxyphenyl)methyl]propan-1-amine
CID 115778492
N-[(3-iodophenyl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 105052524
N-[cyclopentyl(naphthalen-2-yl)methyl]propan-1-amine
CID 63416906
N-[(3-methylcyclohexyl)-(3-propylphenyl)methyl]propan-1-amine
CID 116544174
N-[cyclobutyl(thiophen-3-yl)methyl]propan-1-amine
CID 65104762

Frequently Asked Questions

What is the IUPAC name of N-[cyclobutyl-(3-iodophenyl)methyl]propan-1-amine?
The IUPAC name of N-[cyclobutyl-(3-iodophenyl)methyl]propan-1-amine (CID 105049407) is N-[cyclobutyl-(3-iodophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclobutyl-(3-iodophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclobutyl-(3-iodophenyl)methyl]propan-1-amine is CCCNC(c1cccc(I)c1)C1CCC1.
What is the InChIKey of N-[cyclobutyl-(3-iodophenyl)methyl]propan-1-amine?
The InChIKey is UGZXZBDZTGDMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20IN/c1-2-9-16-14(11-5-3-6-11)12-7-4-8-13(15)10-12/h4,7-8,10-11,14,16H,2-3,5-6,9H2,1H3.
What are the key properties of N-[cyclobutyl-(3-iodophenyl)methyl]propan-1-amine?
N-[cyclobutyl-(3-iodophenyl)methyl]propan-1-amine has a molecular weight of 329.23 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclobutyl-(3-iodophenyl)methyl]propan-1-amine is sourced from PubChem (CID 105049407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).