N-(iodomethyl)-2,2-dimethylbutan-1-amine

C7H16IN — CID 163962700

IUPACN-(iodomethyl)-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)CNCI
InChIInChI=1S/C7H16IN/c1-4-7(2,3)5-9-6-8/h9H,4-6H2,1-3H3
InChIKeySIXNGRVBGJQBET-UHFFFAOYSA-N
MW241.12 g/mol
LogP2.40
Rot. Bonds4

About N-(iodomethyl)-2,2-dimethylbutan-1-amine

N-(iodomethyl)-2,2-dimethylbutan-1-amine (PubChem CID 163962700) has the molecular formula C7H16IN and a molecular weight of 241.12 g/mol. Its IUPAC name is N-(iodomethyl)-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-(iodomethyl)-2,2-dimethylbutan-1-amine
PubChem CID163962700
Molecular FormulaC7H16IN
Molecular Weight241.12 g/mol
Exact Mass241.03
IUPAC NameN-(iodomethyl)-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)CNCI
InChIInChI=1S/C7H16IN/c1-4-7(2,3)5-9-6-8/h9H,4-6H2,1-3H3
InChIKeySIXNGRVBGJQBET-UHFFFAOYSA-N
XLogP2.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.12
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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-(bromomethyl)-2,2-dimethylbutan-1-amine
CID 115262494
N-(2,2-dimethylpropyl)-2,2-dimethylbutan-1-amine;molecular hydrogen
CID 145404528
N-(2,2-dimethylbutyl)-2,2-dimethylpentan-1-amine
CID 88877913
2,2-dimethyl-N-pentylbutan-1-amine
CID 103698372
2,2-dimethyl-N-(3-methylsulfanylpropyl)butan-1-amine
CID 103699635
1-N-(2,2-dimethylbutyl)butane-1,3-diamine
CID 103462116
N-ethyl-2,2-dimethylbutan-1-amine;N-ethyl-2-methylbutan-1-amine
CID 163239092
2-amino-3-(2,2-dimethylbutylamino)propan-1-ol
CID 115121008
1-N-(2,2-dimethylbutyl)-4-methylpentane-1,3-diamine
CID 103462177
3-(2,2-dimethylbutylamino)-2-methylpropanoic acid
CID 103461240
N-(2,2-dimethylbutyl)hept-6-en-1-amine
CID 107007207
5-(2,2-dimethylbutylamino)pentanenitrile
CID 103699023

Frequently Asked Questions

What is the IUPAC name of N-(iodomethyl)-2,2-dimethylbutan-1-amine?
The IUPAC name of N-(iodomethyl)-2,2-dimethylbutan-1-amine (CID 163962700) is N-(iodomethyl)-2,2-dimethylbutan-1-amine.
What is the SMILES notation for N-(iodomethyl)-2,2-dimethylbutan-1-amine?
The canonical SMILES for N-(iodomethyl)-2,2-dimethylbutan-1-amine is CCC(C)(C)CNCI.
What is the InChIKey of N-(iodomethyl)-2,2-dimethylbutan-1-amine?
The InChIKey is SIXNGRVBGJQBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16IN/c1-4-7(2,3)5-9-6-8/h9H,4-6H2,1-3H3.
What are the key properties of N-(iodomethyl)-2,2-dimethylbutan-1-amine?
N-(iodomethyl)-2,2-dimethylbutan-1-amine has a molecular weight of 241.12 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(iodomethyl)-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 163962700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).