N-tert-butyl-4-(4-iodophenyl)-3,3-dimethylbutan-1-amine

C16H26IN — CID 81033423

IUPACN-tert-butyl-4-(4-iodophenyl)-3,3-dimethylbutan-1-amine
SMILESCC(C)(CCNC(C)(C)C)Cc1ccc(I)cc1
InChIInChI=1S/C16H26IN/c1-15(2,3)18-11-10-16(4,5)12-13-6-8-14(17)9-7-13/h6-9,18H,10-12H2,1-5H3
InChIKeyRMAXDFJIKSEQGQ-UHFFFAOYSA-N
MW359.30 g/mol
LogP4.64
Rot. Bonds5

About N-tert-butyl-4-(4-iodophenyl)-3,3-dimethylbutan-1-amine

N-tert-butyl-4-(4-iodophenyl)-3,3-dimethylbutan-1-amine (PubChem CID 81033423) has the molecular formula C16H26IN and a molecular weight of 359.30 g/mol. Its IUPAC name is N-tert-butyl-4-(4-iodophenyl)-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(4-iodophenyl)-3,3-dimethylbutan-1-amine
PubChem CID81033423
Molecular FormulaC16H26IN
Molecular Weight359.30 g/mol
Exact Mass359.11
IUPAC NameN-tert-butyl-4-(4-iodophenyl)-3,3-dimethylbutan-1-amine
SMILESCC(C)(CCNC(C)(C)C)Cc1ccc(I)cc1
InChIInChI=1S/C16H26IN/c1-15(2,3)18-11-10-16(4,5)12-13-6-8-14(17)9-7-13/h6-9,18H,10-12H2,1-5H3
InChIKeyRMAXDFJIKSEQGQ-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 54.64
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-tert-butyl-4-(3-chloro-4-fluorophenyl)-3,3-dimethylbutan-1-amine
CID 103042326
1-(3-chloro-2,2-dimethylpropyl)-4-iodobenzene
CID 66060397
4-(3-bromophenyl)-N-tert-butyl-3,3-dimethylbutan-1-amine
CID 81032768
N-tert-butyl-5-(4-chlorophenyl)-3,3-dimethylpentan-1-amine
CID 65304678
[3-(4-iodophenyl)-2,2-dimethylpropyl]carbamic acid
CID 69036950
N-tert-butyl-4-(4-chloro-2-fluorophenyl)-3,3-dimethylbutan-1-amine
CID 114862692
N-ethyl-3,3-dimethyl-4-pyridin-4-ylbutan-1-amine
CID 81022456
(2S)-2-amino-1-(4-iodophenyl)propan-2-ol
CID 119090994
2-[(4-iodophenyl)methyl]-N,2-dimethylpentan-1-amine
CID 65491899
N-[(4-iodophenyl)methyl]-3-methylpentan-3-amine
CID 106328638
4-(3-bromo-2,6-difluorophenyl)-N-tert-butyl-3,3-dimethylbutan-1-amine
CID 106273338
1-amino-3-(4-iodophenyl)-2-methylpropan-2-ol
CID 66037217

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(4-iodophenyl)-3,3-dimethylbutan-1-amine?
The IUPAC name of N-tert-butyl-4-(4-iodophenyl)-3,3-dimethylbutan-1-amine (CID 81033423) is N-tert-butyl-4-(4-iodophenyl)-3,3-dimethylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-4-(4-iodophenyl)-3,3-dimethylbutan-1-amine?
The canonical SMILES for N-tert-butyl-4-(4-iodophenyl)-3,3-dimethylbutan-1-amine is CC(C)(CCNC(C)(C)C)Cc1ccc(I)cc1.
What is the InChIKey of N-tert-butyl-4-(4-iodophenyl)-3,3-dimethylbutan-1-amine?
The InChIKey is RMAXDFJIKSEQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26IN/c1-15(2,3)18-11-10-16(4,5)12-13-6-8-14(17)9-7-13/h6-9,18H,10-12H2,1-5H3.
What are the key properties of N-tert-butyl-4-(4-iodophenyl)-3,3-dimethylbutan-1-amine?
N-tert-butyl-4-(4-iodophenyl)-3,3-dimethylbutan-1-amine has a molecular weight of 359.30 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(4-iodophenyl)-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 81033423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).