N-(chloromethyl)-N,2,2-trimethylpropan-1-amine

C7H16ClN — CID 115263125

IUPACN-(chloromethyl)-N,2,2-trimethylpropan-1-amine
SMILESCN(CCl)CC(C)(C)C
InChIInChI=1S/C7H16ClN/c1-7(2,3)5-9(4)6-8/h5-6H2,1-4H3
InChIKeyMZPXVICILPLUGQ-UHFFFAOYSA-N
MW149.66 g/mol
LogP2.16
Rot. Bonds2

About N-(chloromethyl)-N,2,2-trimethylpropan-1-amine

N-(chloromethyl)-N,2,2-trimethylpropan-1-amine (PubChem CID 115263125) has the molecular formula C7H16ClN and a molecular weight of 149.66 g/mol. Its IUPAC name is N-(chloromethyl)-N,2,2-trimethylpropan-1-amine.

Molecular Properties

Compound NameN-(chloromethyl)-N,2,2-trimethylpropan-1-amine
PubChem CID115263125
Molecular FormulaC7H16ClN
Molecular Weight149.66 g/mol
Exact Mass149.10
IUPAC NameN-(chloromethyl)-N,2,2-trimethylpropan-1-amine
SMILESCN(CCl)CC(C)(C)C
InChIInChI=1S/C7H16ClN/c1-7(2,3)5-9(4)6-8/h5-6H2,1-4H3
InChIKeyMZPXVICILPLUGQ-UHFFFAOYSA-N
XLogP2.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.66
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(2,2-dimethylpropyl)-N,N'-dimethylmethanediamine
CID 159238333
6-chloro-N-(2,2-dimethylpropyl)-N-methylhexan-1-amine
CID 62227650
N,N'-bis(chloromethyl)-N,N'-dimethylethane-1,2-diamine
CID 88914323
1-N-(2,2-dimethylpropyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 62846953
N-(2-iodoethyl)-N,2,2-trimethylpropan-1-amine
CID 130693540
[2,2-dimethylpropyl(methyl)amino]methyl-trifluoroboranuide
CID 63702814
(2S)-1-[2,2-dimethylpropyl(methyl)amino]propan-2-ol
CID 103935088
methane;N,N,2,2-tetramethylpropan-1-amine
CID 160781651
lithium;hydride;N,N,2,2-tetramethylpropan-1-amine
CID 174663551
N-(2,2-dimethylpropyl)-N,4-dimethylpentan-1-amine
CID 90148563
3-[2,2-dimethylpropyl(methyl)amino]propane-1,2-diol
CID 58066210
N-[2-(3,3-dimethylbutoxy)ethyl]-N,2,2-trimethylpropan-1-amine
CID 59863709

Frequently Asked Questions

What is the IUPAC name of N-(chloromethyl)-N,2,2-trimethylpropan-1-amine?
The IUPAC name of N-(chloromethyl)-N,2,2-trimethylpropan-1-amine (CID 115263125) is N-(chloromethyl)-N,2,2-trimethylpropan-1-amine.
What is the SMILES notation for N-(chloromethyl)-N,2,2-trimethylpropan-1-amine?
The canonical SMILES for N-(chloromethyl)-N,2,2-trimethylpropan-1-amine is CN(CCl)CC(C)(C)C.
What is the InChIKey of N-(chloromethyl)-N,2,2-trimethylpropan-1-amine?
The InChIKey is MZPXVICILPLUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16ClN/c1-7(2,3)5-9(4)6-8/h5-6H2,1-4H3.
What are the key properties of N-(chloromethyl)-N,2,2-trimethylpropan-1-amine?
N-(chloromethyl)-N,2,2-trimethylpropan-1-amine has a molecular weight of 149.66 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(chloromethyl)-N,2,2-trimethylpropan-1-amine is sourced from PubChem (CID 115263125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).