N-[(4-iodophenyl)methyl]-3-methylpentan-3-amine

C13H20IN — CID 106328638

IUPACN-[(4-iodophenyl)methyl]-3-methylpentan-3-amine
SMILESCCC(C)(CC)NCc1ccc(I)cc1
InChIInChI=1S/C13H20IN/c1-4-13(3,5-2)15-10-11-6-8-12(14)9-7-11/h6-9,15H,4-5,10H2,1-3H3
InChIKeyXXRKOWQWSOHRMO-UHFFFAOYSA-N
MW317.21 g/mol
LogP3.96
Rot. Bonds5

About N-[(4-iodophenyl)methyl]-3-methylpentan-3-amine

N-[(4-iodophenyl)methyl]-3-methylpentan-3-amine (PubChem CID 106328638) has the molecular formula C13H20IN and a molecular weight of 317.21 g/mol. Its IUPAC name is N-[(4-iodophenyl)methyl]-3-methylpentan-3-amine.

Molecular Properties

Compound NameN-[(4-iodophenyl)methyl]-3-methylpentan-3-amine
PubChem CID106328638
Molecular FormulaC13H20IN
Molecular Weight317.21 g/mol
Exact Mass317.06
IUPAC NameN-[(4-iodophenyl)methyl]-3-methylpentan-3-amine
SMILESCCC(C)(CC)NCc1ccc(I)cc1
InChIInChI=1S/C13H20IN/c1-4-13(3,5-2)15-10-11-6-8-12(14)9-7-11/h6-9,15H,4-5,10H2,1-3H3
InChIKeyXXRKOWQWSOHRMO-UHFFFAOYSA-N
XLogP3.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.21
LogP ≤ 53.96
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

[4-[(3-methylpentan-3-ylamino)methyl]phenyl]methanol
CID 103947270
3-methyl-N-[(4-propan-2-ylphenyl)methyl]pentan-3-amine
CID 106328140
2-[4-[(3-methylpentan-3-ylamino)methyl]phenyl]acetic acid
CID 106330128
N-[(4-fluoro-3-methylphenyl)methyl]-3-methylpentan-3-amine
CID 115630753
3-methyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pentan-3-amine
CID 106327870
1-[(4-iodophenyl)methylamino]-2-methylbutan-2-ol
CID 65478827
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 22251747
2-[[4-(difluoromethyl)phenyl]methylamino]-2-methylbutan-1-ol
CID 115524024
N-benzyl-1-chloro-3-methylpentan-3-amine
CID 106167062
N-[(3-bromo-4-methylphenyl)methyl]-3-methylpentan-3-amine
CID 106328069
N-[(4-ethylphenyl)methyl]-2-methylbutan-2-amine
CID 17206654
N-[(4-ethoxyphenyl)methyl]-2-methylbutan-2-amine
CID 17206624

Frequently Asked Questions

What is the IUPAC name of N-[(4-iodophenyl)methyl]-3-methylpentan-3-amine?
The IUPAC name of N-[(4-iodophenyl)methyl]-3-methylpentan-3-amine (CID 106328638) is N-[(4-iodophenyl)methyl]-3-methylpentan-3-amine.
What is the SMILES notation for N-[(4-iodophenyl)methyl]-3-methylpentan-3-amine?
The canonical SMILES for N-[(4-iodophenyl)methyl]-3-methylpentan-3-amine is CCC(C)(CC)NCc1ccc(I)cc1.
What is the InChIKey of N-[(4-iodophenyl)methyl]-3-methylpentan-3-amine?
The InChIKey is XXRKOWQWSOHRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20IN/c1-4-13(3,5-2)15-10-11-6-8-12(14)9-7-11/h6-9,15H,4-5,10H2,1-3H3.
What are the key properties of N-[(4-iodophenyl)methyl]-3-methylpentan-3-amine?
N-[(4-iodophenyl)methyl]-3-methylpentan-3-amine has a molecular weight of 317.21 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-iodophenyl)methyl]-3-methylpentan-3-amine is sourced from PubChem (CID 106328638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).