N'-tert-butyl-N-(iodomethyl)-N'-methylethane-1,2-diamine

C8H19IN2 — CID 134185824

IUPACN'-tert-butyl-N-(iodomethyl)-N'-methylethane-1,2-diamine
SMILESCN(CCNCI)C(C)(C)C
InChIInChI=1S/C8H19IN2/c1-8(2,3)11(4)6-5-10-7-9/h10H,5-7H2,1-4H3
InChIKeyAJTWAXZVZRMSRQ-UHFFFAOYSA-N
MW270.16 g/mol
LogP1.70
Rot. Bonds4

About N'-tert-butyl-N-(iodomethyl)-N'-methylethane-1,2-diamine

N'-tert-butyl-N-(iodomethyl)-N'-methylethane-1,2-diamine (PubChem CID 134185824) has the molecular formula C8H19IN2 and a molecular weight of 270.16 g/mol. Its IUPAC name is N'-tert-butyl-N-(iodomethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-(iodomethyl)-N'-methylethane-1,2-diamine
PubChem CID134185824
Molecular FormulaC8H19IN2
Molecular Weight270.16 g/mol
Exact Mass270.06
IUPAC NameN'-tert-butyl-N-(iodomethyl)-N'-methylethane-1,2-diamine
SMILESCN(CCNCI)C(C)(C)C
InChIInChI=1S/C8H19IN2/c1-8(2,3)11(4)6-5-10-7-9/h10H,5-7H2,1-4H3
InChIKeyAJTWAXZVZRMSRQ-UHFFFAOYSA-N
XLogP1.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N'-tert-butyl-N-ethyl-N'-methylethane-1,2-diamine
CID 115205666
N-[2-[tert-butyl(methyl)amino]ethyl]acetamide
CID 89022551
N'-[2-[tert-butyl(methyl)amino]ethyl]-N,N,N'-trimethylethane-1,2-diamine
CID 158891423
5-[tert-butyl(methyl)amino]pentan-1-ol
CID 23381575
N'-tert-butyl-N-[2-[dimethylamino(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine
CID 167093285
N-tert-butyl-N,7,7-trimethyloctan-1-amine
CID 176737662
N-tert-butyl-N-methylbutan-1-amine;2-methylpropane
CID 158127405
N-tert-butyl-4-[4-[tert-butyl(methyl)amino]butoxy]-N-methylbutan-1-amine
CID 21049167
N-(iodomethyl)-2-methyliodanuidylethanamine
CID 147122157
2-(iodomethylamino)ethanethiol
CID 88972629
N-[2-(3,3-dimethylbutoxy)ethyl]-N,2-dimethylpropan-2-amine
CID 164724475
1-N-[2-(dimethylamino)ethyl]-2-methylpropane-1,2-diamine
CID 59355176

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-(iodomethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N-(iodomethyl)-N'-methylethane-1,2-diamine (CID 134185824) is N'-tert-butyl-N-(iodomethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N-(iodomethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N-(iodomethyl)-N'-methylethane-1,2-diamine is CN(CCNCI)C(C)(C)C.
What is the InChIKey of N'-tert-butyl-N-(iodomethyl)-N'-methylethane-1,2-diamine?
The InChIKey is AJTWAXZVZRMSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19IN2/c1-8(2,3)11(4)6-5-10-7-9/h10H,5-7H2,1-4H3.
What are the key properties of N'-tert-butyl-N-(iodomethyl)-N'-methylethane-1,2-diamine?
N'-tert-butyl-N-(iodomethyl)-N'-methylethane-1,2-diamine has a molecular weight of 270.16 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-(iodomethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 134185824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).